Biological problem addressed 'Model Analysis Type'

Related assays

378 Assays visible to you, out of a total of 591

The main input is the ENA review paper (Function and Regulation of the Saccharomyces cerevisiae ENA Sodium ATPase System, Ruiz&AriƱo 2007) and the papers referenced. Another source are the papers linked from the ENA page of SGD http://www.yeastgenome.org/cgi-bin/locus.fpl?locus=ENA1

A boolean network was created using booleannet (after experimenting with Squad and CellNetAnalyzer). This network can be simulated and visualized using additional software components that will be part of the pyMantis CMS that is developed by the Translucent project.

A interaction network analysis tool (currently based on the BioGrid - PSICQUIC web services) was created that helps to discover interactions of Yeast proteins. The tool will at some point be freely available on the www as part of the pyMantis CMS created within the Translucent project.

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Submitter: Falko Krause

Biological problem addressed: Model Analysis Type

Investigation: TRK1,2 Transport Systems of Saccharomyces cerev...

Study: Promotor Anaysis

Elucidation of protein networks involved in the regulation of cation homeostasis using protein interaction datasets.

Submitter: Falko Krause

Biological problem addressed: Model Analysis Type

Investigation: TRK1,2 Transport Systems of Saccharomyces cerev...

Study: Bioinformatic studies

Development of bioinformatic tools to investigate the role of transcription factors and 14-3-3 proteins in the regulation of genes involved in cation homeostasis.

Submitter: Falko Krause

Biological problem addressed: Model Analysis Type

Investigation: TRK1,2 Transport Systems of Saccharomyces cerev...

Study: Bioinformatic studies

Based on a kinetic model a description of the potassium current is achieved. Its properties with respect to changes in membrane potential and potassium concentrations are derived.

Proton fluxes ensue a change in the membrane potential to which the potassium uptake responds. The membrane potential changes depend on the extrusion of protons, buffering capacities of the media and experimental parametes.

Analytical methods and computational analyses (regression, fitting) will be employed to find properties of the Trk system under different external conditions.

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Time-dependent simulations of the dynamic switch between acidogenesis and solventogenesis based on the metabolic network and pH-dependent regulation of the enzymes.

Steady state study of the effect of altering gene regulation on yields of end-products, focusing on butanol.

Theoretical analysis of hypothetical sigma factor competition. Based on the model 'transcription factor competition' possible dynamics of sigma factor competition are simulated and analysed using Lineweaver-Burk representations.

We use BSA115 strain which lacks RsbU and RsbW proteins. Therefore, there is limited post-transcriptional regulation of sigmaB activity.

There occurs an unexpected drop in the beta-Gal activity after sigB induction. This modelling effort aims to clarify the reasons.

The dynamic model describes response of yeast metabolic network on metabolic perturbation (i.e. glucose-pulse). One compartmental ODE-based model of yeast anaerobic metabolism includes: glycolysis, pentose phosphate reactions, purine de novo synthesis pathway, purine salvage reactions, redox reactions and biomass growth. The model describes metabolic perturbation of steady state growing cells in chemostat.

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  • Comparison of metabolic flux distribution in carbon core metabolism (EMP, PPP, TCA) of Bacillus subtilis under 3 different conditions: "salt-free" reference, "stress" chemostat, "osmoprotected" chemostat.
  • Model created using OpenFLUX and Microsoft Excel
  • Model computed using MatLAB

Using PCA, three components, beam size 8. Clustering via MCL from Biolayout Express 3D

Data is taken from "Genome-Wide Gene Expression Analysis of the Switch between Acidogenesis and Solventogenesis in Continuous Cultures of Clostridium acetobutylicum." Grimmler et al. 2011 DOI: 10.1159/000320973

Pyruvate formate-lyase (PFL) is an important enzyme in the metabolic pathway of lactic acid bacteria (LAB) and is held responsible for the regulation of the shift between homolactic acid to mixed acid fermentation. PFL catalysis the reversible reaction of acetyl-CoA and formate into pyruvate and CoA. A glycyl radical, who is regenerated within the reaction, is involved; therefore, PFL works only under strictly anaerobic conditions. For its activation, the C-terminal domain has to bind to the ...

Submitter: Stefan Henrich

Biological problem addressed: Model Analysis Type

Investigation: The Attic

Study: Pyruvate formate-lyase (PFL)

Metabolic network of S. pyogenes including primary metabolism, polysaccharide metabolism, purine and pyrimidine biosoynthesis, teichoic acid biosynthesis, fatty acid and phospholipid bioynthesis, amino acid metabolism, vitamins and cofactors

Metabolic network of Enterococcus faecalis including primary metabolism, polysaccharide metabolism, purine and pyrimidine biosoynthesis, teichoic acid biosynthesis, fatty acid and phospholipid bioynthesis, amino acid metabolism, vitamins and cofactors

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Using Taverna for mining and MATLAB for conversion into specific formats (cytoscape, SBTOOLBOX2)

Cytoscape based analysis and yED based representation of clostridial Reactomes

Submitter: Sebastian Curth

Biological problem addressed: Model Analysis Type

Investigation: Modular Model Building

Study: Reactome Analysis

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Submitter: Sebastian Curth

Biological problem addressed: Model Analysis Type

Investigation: Modular Model Building

Study: Automated Model Building

The model describes the behaviour of E. coli in a stationary chemostat with different oxygen availability.

Using TFinfer2 to analyse data from "Characterization of MG1655 and mutant strains under conditions of glucose excess and limitation"

Mathematical model for PGK kinetics, saturation with ADP, ATP, 3PG and BPG.

Submitter: Jacky Snoep

Biological problem addressed: Enzymology

Investigation: Central Carbon Metabolism of Sulfolobus solfata...

Study: Model Gluconeogenesis

In vitro reconstitution of the PGK, GAPHD, TPI and FBPAase enzymes from S. solfataricus

Model prediction of the conversion of 3PG to fructose-6-phosphate and the gluconeogenic pathway intermediates. https://jjj.bio.vu.nl/models/experiments/kouril3_experiment-user/simulate

Mathematical model for GAPDH kinetics, saturation with BPG, NADPH, NADP, GAP and Pi

Submitter: Jacky Snoep

Biological problem addressed: Enzymology

Investigation: Central Carbon Metabolism of Sulfolobus solfata...

Study: Model Gluconeogenesis

Mathematical model for TPI kinetics, saturation with GAP and DHAP, and inhibition by 3PG and PEP

Submitter: Jacky Snoep

Biological problem addressed: Enzymology

Investigation: Central Carbon Metabolism of Sulfolobus solfata...

Study: Model Gluconeogenesis

Mathematical model for FBPAase kinetics, saturation with DHAP and GAP

Submitter: Jacky Snoep

Biological problem addressed: Enzymology

Investigation: Central Carbon Metabolism of Sulfolobus solfata...

Study: Model Gluconeogenesis

Modelling the degradation of BPG, GAP and DHAP at high temperature

The stressosome is an important sensor of environmental stresses in B. subtilis. It is formed by three protein types that form an icosahedral geometric protein complex. There are uncertanties how protein interactions take place, what the effects on the response behaviour of activation and inhibition of phosphorylation among proteins is, and what kind of proximal signal activates the stressosome in the first place. To answer these questions a computational modelling approach was developed. This ...

Despite high similarity in sequence and catalytic properties, the L-lactate dehydrogenases (LDH) in lactic acid bacteria (LAB) display differences in their regulation which may arise from their adaptation to different habitats. We combined experimental and computational approaches to investigate the effects of fructose-1,6-bisphosphate (FBP), phosphate (Pi) and ionic strength (NaCl concentration) on 6 LDHs from 4 LABs studied at pH 6 and pH 7. We find: (1) The extent of activation by FBP (Kact) ...

We here create a kinetic model for a single enzyme within the T. brucei trypanothione synthesis pathway, the enzyme trypanothione synthetase based on the insights from the laboratory experiments

The RNAseq data on mRNA processing and mRNA decay were used to update a previously published model and to interrogate which process should be dependent on mRNA length

Kinetic characterisation en mathematical modelling of HK.

Kinetic characterisation en mathematical modelling of PGI.

Kinetic characterisation en mathematical modelling of PFK.

Kinetic characterisation en mathematical modelling of ALD.

Kinetic characterisation en mathematical modelling of TPI.

Kinetic characterisation en mathematical modelling of G3PDH.

Kinetic characterisation en mathematical modelling of GAPDH.

Kinetic characterisation en mathematical modelling of PGK.

Kinetic characterisation en mathematical modelling of PGM.

Kinetic characterisation en mathematical modelling of ENO.

Kinetic characterisation en mathematical modelling of PK.

Kinetic characterisation and mathematical modelling of LDH.

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Submitter: Dawie van Niekerk

Biological problem addressed: Model Analysis Type

Investigation: Glucose metabolism in Plasmodium falciparum tro...

Study: Model validation

RobOKoD algorithm was, designed then implemented as part of a study in RobOKoD: microbial strain design for (over)production of target compounds. (http://fairdomhub.org/publications/236). It was used to generate a strain of e.coli for producing butanol, that was then compared to an experimental strain. It was shown to perform better than similar methods (OptKnock, and RobustKnock).

OptKnock algorithm was used as part of a study in RobOKoD: microbial strain design for (over)production of target compounds. (http://fairdomhub.org/publications/236). It was used to generate a strain of e.coli for producing butanol, that was then compared to an experimental strain.

RobustKnock algorithm was used as part of a study in RobOKoD: microbial strain design for (over)production of target compounds. (http://fairdomhub.org/publications/236). It was used to generate a strain of e.coli for producing butanol, that was then compared to an experimental strain.

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Submitter: Dawie van Niekerk

Biological problem addressed: Model Analysis Type

Investigation: Glucose metabolism in Plasmodium falciparum tro...

Study: Model analysis

Inhibition of lactate flux due to glucose transport inhibitor

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Submitter: Dawie van Niekerk

Biological problem addressed: Model Analysis Type

Investigation: Glucose metabolism in Plasmodium falciparum tro...

Study: Model analysis

Genome scale metabolic model of Sulfolobus solfataricus specific scenario: modelling of L-fucose degradation pathways

The multi-compartmental metabolic network of Arabidopsis thaliana was reconstructed and optimized in order to explain growth stoichiometry of the plant both in light and in dark conditions. Balances and turnover of energy (ATP/ADP) and redox (NAD(P)H/NAD(P)) metabolites as well as proton in different compartments were estimated. The model showed that in light conditions, the plastid ATP balance depended on the relationship between fluxes through photorespiration and photosynthesis including both ...

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Submitter: Ron Henkel

Biological problem addressed: Cell Cycle

Investigation: Hands-on: Model Management in SEEK

Study: Hands-On: Tyson1991 - Cell Cycle 6 var

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effects of 1% increase in each parameter, more detailed analysis of water content

correlations of starch mobilisation and fresh weight under single parameter changes

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Simulation data from FMv2 calibrated for experiment L&H2, an experiment run at 18.5C instead of the 20.5C of the replicate and related studies. The Excel file includes the mean and SD of the relevant experimental data, and the figure panels.

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Training of the model, parameter estimation using Evolutionary Programming using metabolomics, proteomics and some flux data.

Validation by simulating independent OE, KO mutant and perturbation samples, using sampling of the gausian distribution based on the mean and SD of measurements per sample. A 1000 samples of the gausian distribution of the mean and SD was performed per sample to show error in the measurements and how it propegates in predicted metabolite concentration in SS

Simulation of OE mutants targetting enzymes in the model, combined with metabolite concentrations and enzyme fold change of from the 40 samples. For each second mutant the enzyme concentrations in case of OE and KO mutants in updated and the metabolite concentrations of the second sample are loaded in the model. Using this approach the model approximately predicts combinatorial effects of OE mutations with other mutations, perturbations and time series concentrations.

Construction and manual curated Genome Scale Metabolitic model of M. hyopneumoniae. Dynamic flux balance analysis was performed for glucose uptake

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A model for the PGK reaction of yeast in presence or absence of the ATP recycling reactions

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Phosphoglycerate kinase acts as a futile cycle ...

Study: PGK-30C

BPG stability analysis

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Phosphoglycerate kinase acts as a futile cycle ...

Study: BPG stability

PGK 70C model

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Phosphoglycerate kinase acts as a futile cycle ...

Study: PGK-70C

PGK - GAPDH models

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Phosphoglycerate kinase acts as a futile cycle ...

Study: PGK-GAPDH 30C & 70C

We have developed a method for comparative analysis of pairs of complex networks based on gene co-expression analysis. We apply this modeling analysis to data set for gene expressions in multiple tissues of mus musculus and homo sapiens.

These Python scripts define and simulate the translational coincidence model. This model takes measured transcript dynamics (Blasing et al, 2005) in 12L:12D, measured synthesis rates of protein in light compared to dark (Pal et al, 2013), and outputs predicted changes in protein abundance between short (6h) and long (18h) photoperiods. These are compared to the photoperiod proteomics dataset we generated.

RNA timeseries data for Arabidopsis Col wild-type plants and clock mutants, as separate mean and SD files. The raw data is available on BioDare.ed.ac.uk, and is linked as 'Attribution' from elsewhere on FAIRDOMHub.

The starting models are included here in their original forms, the P2011 model as an SBML L3V1 model file, and the KF2014 model of Fogelmark et al. shared as SBML; both prepared by Uriel Urquiza.

Data and Python scripts to run the analysis of literature data that estimates rates of protein synthesis in the light and dark, and overall rates of protein turnover, in Cyanothece and Ostrecoccus tauri.

General sandbox

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: FAIRDOMhub API usage in R

Model of glycolytic oscillations in individual yeast cells in microfluidic flow chamber

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In future we should split these versions into separate Assays, and link to the four, original component models, when they are imported with the PlaSMo resource into FairdomHub (expected late 2018)

Contains the analysis of the internal metabolite concentrations of the 40 independend samples Pearson correlation was used to generate heatmaps Pearson correlation with p-value cutof of 0.001 was used and as input for a correlation network (grouping using H-clust) Principal component analysis was performed on samples, F-ion and H-ion data combined and seperately Zip files contains the data (FC.txt), PCA and heatmap plots and the script to re-generate these plots

Submitter: Niels Zondervan

Biological problem addressed: Model Analysis Type

Investigation: Modelling of M. pneumoniae metabolism

Study: Metabolomics measurements

Metabolic control analysis: Local control coefficients for 40 independent samples based on 100x sampling from the measurement distribution Global control analysis based on 100.000 Latin Hypercube sampling from the parameter search range (0.01-100 for Km values and 0.001-1000 for Vmax values)

The associated zip files contains all input files and a Jupyter notebook to rerun sampled simmulations, combined simmulations, parameter scan for the model with addition of an oxygin inhibiton of LDH, local- and global-sensitivity analysis and plot simmulation output in various formats. In addition the zip file contains the py36.yaml file that can be used to recreate the model simmulation environment using Anaconda making all simmulations completely reproducable. All information on how to use ...

Submitter: Niels Zondervan

Biological problem addressed: Model Analysis Type

Investigation: Modelling of M. pneumoniae metabolism

Study: Core Model predictions

This model is termed P2011 and derives from the article: The clock gene circuit in Arabidopsis includes a repressilator with additional feedback loops. Alexandra Pokhilko, Aurora PiƱas FernƔndez, Kieron D Edwards, Megan M Southern, Karen J Halliday & Andrew J Millar Mol. Syst. Biol. 2012; 8: 574, submitted 9 Aug 2011 and published 6 March 2012. Link Link to Supplementary Information, including equations. Minor errors in the published Supplementary Information are described in a file attached ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

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Originally submitted to PLaSMo on 2015-09-02 18:27:55

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: Checking upload for andrew - PLM_1040

To check if all works fine after struts update. Checking editorial options

Additional Attributes
tested:

Yes, against schema



Originally submitted to PLaSMo on 2013-11-22 15:15:40

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: Plasmo test model1 - PLM_80

"3PG is an acronym for Physiological Principles Predicting Growth. It is a generalized forest carbon allocation model, published by Landsberg and Waring (1997), that works with any forest biome and can be run as an Excel spreadsheet by practicing foresters given a few days of training. The model uses relatively simple and readily available inputs such as species growth tables, latitude, aspect, weather records, edaphic variables, stand age, and stand density to derive monthly estimates of gross ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Muetzelfeldt, Robert

Study: 3PG - PLM_12

Penman Evaporation over water ( mm/day ). This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly).

Related Publications
Porter J (1993). AFRCWHEAT2: A Model of the Growth and Development of Wheat Incorporating Responses to Water and Nitrogen. . Eur. J. Agron. 2(2): 69-82..

Originally submitted to PLaSMo on 2011-02-04 15:17:42

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 evapw submodel - PLM_33

Number of days between 2 Julian days allowing for change of year and leap years. Assumptions : The gap between the two dates is less than 1 year also JDAY1 is before JDAY2. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). Ā Related PublicationsPorter J (1993). AFRCWHEAT2: A Model of the Growth and Development of Wheat Incorporating Responses to Water and Nitrogen. . Eur. J. Agron. 2(2): 69-82.. Originally submitted to PLaSMo on 2011-02-04 15:24:25 ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 jdaydif submodel - PLM_34

Transform Calendar day to Julian Day. Converts day, month, year into the equivalent Julian Day allowing for leap years. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly).Related PublicationsPorter J (1993). AFRCWHEAT2: A Model of the Growth and Development of Wheat Incorporating Responses to Water and Nitrogen. . Eur. J. Agron. 2(2): 69-82.. Originally submitted to PLaSMo on 2011-02-04 15:30:45

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 julday submodel - PLM_35

To calculate leaf and sheath dimensions for main stems and tillers given the emergence length of their leaves and empirical relationships linking leaf number to maximum laminar length. All sizes are in mm. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). All variables and parameters that are inputs to the submodel are in the "inputs " submodel box, all variables changed by the submodel are outputted via the "outputs" submodel box.Related ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 ldim submodel - PLM_36

To calculate today's daylength and photoperiod. Daylength is calculated following the treatment of Sellers, Physical Climatology,pp 15-16 and Appendix 2. Daylength is calculated with a correction for atmospheric refraction equivalent to 50 minutes of a degree. Photoperiod is calculated assuming that light is perceived until the centre of the sun is 6 degrees below the horizon. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). All variables and ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 photpd submodel - PLM_37

To return daily thermal time with base TBASE. Thermal time for a day is calculated by splitting the 24 hour period into 8 * 3 hour periods whose relative contribution to thermal time for the day is based on a cosinusoidal variation in temperature between observed maximum and minimum values. See Weir,A.H. et al.,(1984).J.Agric.Sci.,Camb.,102,371-382. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). Ā  Ā  All variables and parameters that are inputs ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 tdays submodel - PLM_38

To return Vapour pressure calculated from Wet and Dry Bulb Temperatures. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly).

Related Publications
Porter J (1993). AFRCWHEAT2: A Model of the Growth and Development of Wheat Incorporating Responses to Water and Nitrogen.. Eur. J. Agron. 2(2): 69-82..

Originally submitted to PLaSMo on 2011-02-04 15:55:57

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 vappres submodel - PLM_39

To return today's vernalising effect (see Weir,A.H. et al.,(1984).J.Agric.Sci.,Camb.,102,371-382). This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). All variables and parameters that are inputs to the submodel are in the "inputs " submodel box, all variables changed by the submodel are outputted via the "outputs" submodel box.Related PublicationsPorter J (1993). AFRCWHEAT2: A Model of the Growth and Development of Wheat Incorporating Responses to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 vernal submodel - PLM_40

This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). Reads and processes todays weather data. Calculates Penman evaporation and converts day/month/year to Julian day (allowing for year change and leap years). We acknowledge Mikhail Semenov for kindly allowing us to supply this Rothamsted weather data set with this model. Euler integration with 1 day time steps.Related PublicationsPorter J (1993). AFRCWHEAT2: A Model of the Growth and Development of ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRC Wheat 2 weathr submodel - PLM_41

To calculate the phenological stage of the crop. Note the following definition: phase = the period between two phenological stages, ie. the phase sowing to emergence. This is a submodel of AFRC Wheat 2 model in Simile notation (the XML version will follow shortly). All variables and parameters that are inputs to the submodel are in the "inputs " submodel box, all variables changed by the submodel are outputted via the "outputs" submodel box. Euler integration with 1 day time steps.Related ...



Originally submitted to PLaSMo on 2010-12-20 14:54:15

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: AFRCtest2 - PLM_25

A model of the circadian regulation of starch turnover, as published in Seaton, Ebenhoeh, Millar, Pokhilko,Ā "Regulatory principles and experimental approaches to the circadian control of starch turnover", Ā J. Roy. Soc. Interface, 2013. This model is referred to as "Model Variant 1".Related PublicationsSeaton, Ebenhoeh, Millar, Pokhilko (2013). Regulatory principles and experimental approaches to the circadian control of starch turnover. Journal of the Royal Society Interface. Originally submitted ...

A model of the circadian regulation of starch turnover, as published in Seaton, Ebenhoeh, Millar, Pokhilko,Ā "Regulatory principles and experimental approaches to the circadian control of starch turnover", Ā J. Roy. Soc. Interface, 2013. This model is referred to as "Model Variant 2".Related PublicationsSeaton, Ebenhoeh, Millar, Pokhilko (2013). Regulatory principles and experimental approaches to the circadian control of starch turnover. Journal of the Royal Society Interface. Originally submitted ...

A model of the circadian regulation of starch turnover, as published in Seaton, Ebenhoeh, Millar, Pokhilko,Ā "Regulatory principles and experimental approaches to the circadian control of starch turnover", Ā J. Roy. Soc. Interface, 2013. This model is referred to as "Model Variant 3".Related PublicationsSeaton, Ebenhoeh, Millar, Pokhilko (2013). Regulatory principles and experimental approaches to the circadian control of starch turnover. Journal of the Royal Society Interface. Originally submitted ...

Creator - Dr. Daniel D. Seaton.

Graphical overview of Arabidopsis clock model P2011 in SBGN, from SBGN-ED in VANTED v2.

N.B. to pass PlaSMo validation before update, the tag was back-edited from the correct string to in this file. The file is still correctly opened in VANTED after this modification. The unmodified version is also attached. Related PublicationsFlis et al. (2015). Open ...

This model is one of five new parameter sets for P2011, published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Derived from Original model: P2011.1.2 is public model ID PLM_71 version 1, http://www.plasmo.ed.ac.uk/plasmo/models/download.shtml?accession=PLM_71&version=1

This model P2011.3.1 is public model ID PLM_1041, with parameters optimised by Kevin Stratford using SBSInumerics software on the UK national ...

This model is one of five new parameter sets for P2011, published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Derived from Original model: P2011.1.2 is public model ID PLM_71 version 1, http://www.plasmo.ed.ac.uk/plasmo/models/download.shtml?accession=PLM_71&version=1

This model P2011.4.1 is public model ID PLM_1042, with parameters optimised by Kevin Stratford using SBSInumerics software on the UK national ...

This model is one of five new parameter sets for P2011, published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Derived from Original model: P2011.1.2 is public model ID PLM_71 version 1, http://www.plasmo.ed.ac.uk/plasmo/models/download.shtml?accession=PLM_71&version=1

This model P2011.5.1 is public model ID PLM_1043, with parameters optimised by Kevin Stratford using SBSInumerics software on the UK national ...

This model is one of five new parameter sets for P2011, published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Derived from Original model: P2011.1.2 is public model ID PLM_71 version 1, http://www.plasmo.ed.ac.uk/plasmo/models/download.shtml?accession=PLM_71&version=1

This model P2011.6.1 is public model ID PLM_1044, with parameters optimised by Kevin Stratford using SBSInumerics software on the UK national ...

The models in this record were published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Original model: Arabidopsis clock model P2011.1.1 from Pokhilko et al. Mol Syst. Biol. 2012, http://dx.doi.org/10.1038/msb.2012.6

Published version is Biomodels ID 00412, http://www.ebi.ac.uk/compneur-srv/biomodels-main/BIOMD0000000412 Also public in Plasmo as PLM_64, with several versions, http://www.plasmo.ed.ac.uk/plasmo/models/model.shtml?accession=PLM_64 ...

The models in this record were published in Flis et al. Royal Society Open Biology 2015. They will be submitted to Biomodels when we have a PubMed ID for the paper.

Original model: Arabidopsis clock model P2011.1.1 from Pokhilko et al. Mol Syst. Biol. 2012, http://dx.doi.org/10.1038/msb.2012.6

Published version is Biomodels ID 00412, http://www.ebi.ac.uk/compneur-srv/biomodels-main/BIOMD0000000412 Also public in Plasmo as PLM_64, with several versions, http://www.plasmo.ed.ac.uk/plasmo/models/model.shtml?accession=PLM_64 ...

Validation. Validated against original implementation running under GNU FORTRAN 95. To allow the maximum flexiblity during validation the original FORTRAN code was modified slightly (note that no code lines were deleted). The code was run with high precision so that values were directly comparable with those in Simile even after hundreds of thousands of iterations. The values of all the variables in the original code were printed to the screen so that they could be checked against their Simile ...

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukOriginally submitted to PLaSMo on 2011-07-16 12:31:04

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Final model as submitted but with time changed to t for compatibilty with SBSI Originally submitted to PLaSMo on 2011-07-16 ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Pokhilko Arabidopsis clock model as submitted, SBSI compatible and tanh light function of Kevin Stratford Originally submitted ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Corrected version for SBSI with Kevin Stratford's tanh light function, as in the Locke tanh models. Confirmed will now run and ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments this version has a graphical representation in Cell Designer. It runs in Cell Designer, Copasi and SBSI, but not run optimization ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments this version is similar to version 5 (but csymbol time is replaced to t), it has a graphical representation in Cell Designer, ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments This version was modified from version 6 in Copasi by replacement of "light function" to L in all equations. Originally submitted ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Alexandra's P2011 clock model with:

  • skeleton photoperiod for Graf et al. PNAS 2010.

  • parameter changes to simulated prr9 ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Alexandra Pokhilko's model of the Arabidopsis clock, private drafts created in preparation for publication (Mol. Syst. Biol.), or as working versions with various modifications after publication. The published model version is also in PlaSMo as PLM_64 here.Comments Matlab files are attached to version 1 2012-01-31 11:08:51 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Alexandra's P2011 model with skeleton photoperiod for Graf et al.PNAS 2010.

A Copasi file is attached. Note that another version ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_2011 - PLM_43

Millar lab working model, extends the Arabidopsis clock model by incorporating multiple sites of inhibition of clock gene expression by TOC1. Model is included into submitted publication "Global Mapping at the Core of the Arabidopsis Circadian Clock Defines a Novel Network Structure of the Oscillator" with Paloma Mas Version 1 has two errors corrected in version 2. This private record is now superseded by the published version, which is public as PLM_70.Version Comments The last version, which ...

Millar lab working model, extends the Arabidopsis clock model by incorporating multiple sites of inhibition of clock gene expression by TOC1. Model is included into submitted publication "Global Mapping at the Core of the Arabidopsis Circadian Clock Defines a Novel Network Structure of the Oscillator" with Paloma Mas Version 1 has two errors corrected in version 2. This private record is now superseded by the published version, which is public as PLM_70.Version Comments This is a tidied-up and ...

Model of the arabidopsis circadian clock obtained from the Bio-PEPA model. The model is based on Alexandra Pokhilko's 2010 deterministic model and includes a scaling factor omega to translate from continuous "concentrations" to discrete amounts. Light function is a smooth function switching between 0 and 1, and is parameterised in order to allow to automate experimentation with different light conditions and photoperiods.Related PublicationsMaria Luisa Guerriero, Alexandra Pokhilko, Aurora PiƱas ...

The first version of the model corresponds to the one published in Pokhilko et al Mol Syst Biol 2010, which is also presented on the Mol. Syst. Biol. website and was submitted to the Biomodels database. Note: minor errors in published supplementary information are documented in a file attached to version 1; the published SBML files are correct. The second version has some names slightly modified for compatibility with theĀ SBSI platform. Both first and second versions have values ofĀ  "dawn" fixed ...

The first version of the model corresponds to the one published in Pokhilko et al Mol Syst Biol 2010, which is also presented on the Mol. Syst. Biol. website and was submitted to the Biomodels database. Note: minor errors in published supplementary information are documented in a file attached to version 1; the published SBML files are correct. The second version has some names slightly modified for compatibility with theĀ SBSI platform. Both first and second versions have values ofĀ  "dawn" fixed ...

The first version of the model corresponds to the one published in Pokhilko et al Mol Syst Biol 2010, which is also presented on the Mol. Syst. Biol. website and was submitted to the Biomodels database. Note: minor errors in published supplementary information are documented in a file attached to version 1; the published SBML files are correct. The second version has some names slightly modified for compatibility with theĀ SBSI platform. Both first and second versions have values ofĀ  "dawn" fixed ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Pokhilko, Alexandra

Study: Arabidopsis_clock_extend - PLM_6

This model is termed P2011 and derives from the article: The clock gene circuit in Arabidopsis includes a repressilator with additional feedback loops. Alexandra Pokhilko, Aurora PiƱas FernƔndez, Kieron D Edwards, Megan M Southern, Karen J Halliday & Andrew J Millar Mol. Syst. Biol. 2012; 8: 574, submitted 9 Aug 2011 and published 6 March 2012. Link Link to Supplementary Information, including equations. Minor errors in the published Supplementary Information are described in a file attached ...

This model is termed P2011 and derives from the article: The clock gene circuit in Arabidopsis includes a repressilator with additional feedback loops. Alexandra Pokhilko, Aurora PiƱas FernƔndez, Kieron D Edwards, Megan M Southern, Karen J Halliday & Andrew J Millar Mol. Syst. Biol. 2012; 8: 574, submitted 9 Aug 2011 and published 6 March 2012. Link Link to Supplementary Information, including equations. Minor errors in the published Supplementary Information are described in a file attached ...

This model is termed P2011 and derives from the article: The clock gene circuit in Arabidopsis includes a repressilator with additional feedback loops. Alexandra Pokhilko, Aurora PiƱas FernƔndez, Kieron D Edwards, Megan M Southern, Karen J Halliday & Andrew J Millar Mol. Syst. Biol. 2012; 8: 574, submitted 9 Aug 2011 and published 6 March 2012. Link Link to Supplementary Information, including equations. Minor errors in the published Supplementary Information are described in a file attached ...

This model is termed P2011 and derives from the article: The clock gene circuit in Arabidopsis includes a repressilator with additional feedback loops. Alexandra Pokhilko, Aurora PiƱas FernƔndez, Kieron D Edwards, Megan M Southern, Karen J Halliday & Andrew J Millar Mol. Syst. Biol. 2012; 8: 574, submitted 9 Aug 2011 and published 6 March 2012. Link Link to Supplementary Information, including equations. Minor errors in the published Supplementary Information are described in a file attached ...

This model is termed P2012 and derives from the article: Modelling the widespread effects of TOC1 signalling on the plant circadian clock and its outputs. Alexandra Pokhilko, Paloma Mas & Andrew J Millar BMC Syst. Biol. 2013; 7: 23, submitted 10 Oct 2012 and published 19 March 2013. Link

The model describes the circuit depicted in Fig. 1 of the paper (GIF will be attached soon). It updates the P2011 model from Pokhilko et al. Mol. Syst. Biol. 2012, Plasmo ID PLM_64, by including:

TOC1 as a ...

This model is termed P2012 and derives from the article: Modelling the widespread effects of TOC1 signalling on the plant circadian clock and its outputs. Alexandra Pokhilko, Paloma Mas & Andrew J Millar BMC Syst. Biol. 2013; 7: 23, submitted 10 Oct 2012 and published 19 March 2013. Link

The model describes the circuit depicted in Fig. 1 of the paper (GIF will be attached soon). It updates the P2011 model from Pokhilko et al. Mol. Syst. Biol. 2012, Plasmo ID PLM_64, by including:

TOC1 as a ...

P2011 model from PLM_43 version 6, optimised by Andrew Millar with SBSI PGA optimisation. A limited parameter set were free to optimise over < 10-fold range (less for RNA degradation rates), against ROBuST RNA data for clock genes in WT and mutants at 17C in LD, and period data in the same mutants in LL. The full SBSI costing is included, using costs from mid-June 2012 (note that costs returned with original optimisation in May were incorrectly reported).Originally submitted to PLaSMo on ...

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.

Originally submitted to PLaSMo on 2012-05-31 22:18:27

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.Version Comments Version 2 is the 'public' version with the StepFunction, PLM_64v4. For some reason this was crashing SBSI, but was then cleaned up by passing through Copasi. Thus the file name of this version was Arabidopsis_clock_P2011_exCopasi.xml

This version should be suitable for SBSI optimisation to LD-LL data sets, because it ...

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.

Version Comments

PLM_67v2 set up for LDLL transition at 314h, with wider parameter ranges for most parameters. This is the model file used in LDLL_run2.



Originally submitted to PLaSMo on 2012-05-31 22:18:27

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.Version Comments PLM_67v3 model, with TWO stepfunctions. Simulates fine but as of 21 March 2013 did not optimise.

Step2 is usually off because amplitude=0, but can produce LD-DD transition at 262h. To do so, initiate with amplitudeStep1=0 and amplitudeStep2=1.

NB the step1 will still go to LL at 314h, so need to stop DD costing before ...

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.Version Comments Derived from PLM_67v3 - LDLL transition at 314h, with wider parameter ranges, as used in LDLL_run2 - but with one modification in Copasi, to cL_m degradation to ensure light rate > dark rate. Value of m1 previously 0.54, now 0.3. Simulation in Copasi was identical.

Copasi file also attached. Originally submitted to ...

Andrew's "ongoing work" record for the P2011 clock model. Many different versions, with annotations made during SBSI development in 2011-2013 - see version records.

Version Comments

Corrected m1 parameter and range, tested in SBSI



Originally submitted to PLaSMo on 2012-05-31 22:18:27

A cell-level model of the Arabidopsis root elongation zone. This spatial model is divided up into biological cells which are further divided into simulation boxes. The original model was designed to investigate how canal cells can accumulate auxin over time rather than to investigate the transport of auxin through the canal cells per se. The main outputs of the simulations in the original paper were the steady state ratios of auxin in the canal cell protoplasts to that in the parenchyma cell ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: AuxSim - PLM_27

A cell-level model of the Arabidopsis root elongation zone. This spatial model is divided up into biological cells which are further divided into simulation boxes. The original model was designed to investigate how canal cells can accumulate auxin over time rather than to investigate the transport of auxin through the canal cells per se. The main outputs of the simulations in the original paper were the steady state ratios of auxin in the canal cell protoplasts to that in the parenchyma cell ...

Validation Validated against original code running under GNU FORTRAN 95. Comments on numerical integration No integration needed. Comments on running the (Simile) model The variable "num errors" accumulates the number of times the ribulose bis-phosphate limited photosynthesis rate cannot be calculated. See the documentation dialogue for the Simile variable "jl_electron transport" for details.Additional AttributesOriginal Model: Language: FORTRAN 95 Author:Daniel P. Rasse File name of original ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Davey, Chris

Study: C3 photosynthesis (Farquhar, von Caemmerer, Ber...

This is the representation of major parts of the central metabolism in monocotyledon plants. The information has been derived from the MetaCrop [2] database, a manually curated repository of high quality information concerning the metabolism of crop plants. This includes pathways, reactions, locations, transport processes, and moreOriginally submitted to PLaSMo on 2012-03-05 11:52:18

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Central plant metabolism - PLM_61

"The CENTURY model is a general model of plant-soil nutrient cycling which is being used to simulate carbon and nutrient dynamics for different types of ecosystems including grasslands, agricultural lands, forests and savannas. Ā CENTURY is composed of a soil organic matter/ decomposition submodel, a water budget model, a grassland/crop submodel, a forest production submodel, and management and events scheduling functions. It computes the flow of carbon, nitrogen, phosphorus, and sulfur through ...

This is a photothermal model for Arabidopsis that predicts flowering time, published in Chew et al (2012). It is an improved version of the model in Wilczek et al (Science 2009). A Simile version of the model is attached. Instructions to run the Photothermal Model in Simile 1.Ā Ā Ā Ā Ā Ā  Download the Simile file attached or import the XML into Simile: Ā Ā Ā Ā Ā Ā Ā Ā Ā Ā  a.Ā Ā Ā Ā Ā Ā  File > Import > XML Model Description 2.Ā Ā Ā Ā Ā Ā  To run the model: Ā Ā Ā Ā Ā Ā Ā Ā Ā Ā  a.Ā Ā Ā Ā Ā Ā  Model > Run or click on the ā€˜Play’ ...

This is the Framework Model (Chew et al, PNAS 2014;Ā http://www.pnas.org/content/early/2014/08/27/1410238111)Ā that links the following:

  1. Arabidopsis leaf carbohydrate model (Rasse and Tocquin) - Carbon Dynamic Model

  2. Part of the Christophe et al 2008 Functional-Structural Plant Model

  3. Chew et al 2012 Photothermal Model

  4. Salazar et al 2009 Photoperiodism Model

Ā 

To run the model in Simile, please download the Evaluation Edition of the software from

http://www.simulistics.com/products/simile.php ...

DALEC (Data Assimilation Linked Ecosystem Carbon) represents the C cycle with a simple box model of pools connected via fluxes. There are five pools: C content of foliage (Cf); woody stems and coarse roots (Cw) and fine roots (Cr); and of fresh leaf and fine root litter (Clitter) and soil organic matter (SOM) plus WD (CSOM/WD).Ā  The fluxes among pools are based on the following assumptions: All C fixed during a day is either expended in autotrophic respiration or else allocated to one of three ...

Temperature-sensitive version of Pokhilko 2010 Arabidopsis clock model, from Biomodels BIOMD00273, prepared by Mirela Domijan for the Gould et al. paper on cryptochrome influences on circadian rhythms.Ā  Ā  Molecular Systems Biology 9 Article number: 650Ā Ā doi:10.1038/msb.2013.7 Published online: 19 March 2013 Citation: Molecular Systems Biology 9:650 Network balance via CRY signalling controls the Arabidopsis circadian clock over ambient temperatures Gould, Ugarte, Domijan et al. doi:10.1038/msb.2013.7Originally ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: DomijanTS_AtClock2011 - PLM_50

Temperature-sensitive version of Pokhilko 2010 Arabidopsis clock model, from Biomodels BIOMD00273, prepared by Mirela Domijan for the Gould et al. paper on cryptochrome influences on circadian rhythms.Ā  Ā  Molecular Systems Biology 9 Article number: 650Ā Ā doi:10.1038/msb.2013.7 Published online: 19 March 2013 Citation: Molecular Systems Biology 9:650 Network balance via CRY signalling controls the Arabidopsis circadian clock over ambient temperatures Gould, Ugarte, Domijan et al. doi:10.1038/msb.2013.7Version ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: DomijanTS_AtClock2011 - PLM_50

Model outputs mRNA expression of PIF4/5 that is under control ofĀ the Pokhilko extendedĀ circadian clock. The first version (ModelĀ 2a in the supplementary file)Ā has inhibition of PIFs from TOC1.Ā The second version (Model 2c) has PIF activity promoted by LHY/CCA1 - this is currently the most accurate model when compared to data. Models shall be updated later to include PIF4/5 protein levels. Parameter values for this and other External Coincidence models found in supplementary file.Originally submitted ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Smith, Rob

Study: External Coincidence Model - PLM_31

Model outputs mRNA expression of PIF4/5 that is under control ofĀ the Pokhilko extendedĀ circadian clock. The first version (ModelĀ 2a in the supplementary file)Ā has inhibition of PIFs from TOC1.Ā The second version (Model 2c) has PIF activity promoted by LHY/CCA1 - this is currently the most accurate model when compared to data. Models shall be updated later to include PIF4/5 protein levels. Parameter values for this and other External Coincidence models found in supplementary file.Version Comments ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Smith, Rob

Study: External Coincidence Model - PLM_31

Model that eliminates several light inputs. RVE8, NOX are incorporated. Individual representation of CCA1 and LHY. Several changes in conections and light inputs. Fogelmark reports eight parameter sets. This SBML file contains the first parameter set Related PublicationsFogelmark K, Troein C (2014). Rethinking transcriptional activation in the Arabidopsis circadian clock.. PLoS Comput Biology. Retrieved from: http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003705Originally ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Urquiza Garcia, Uriel

Study: F2014.1 - PLM_1030

SBGN model of glycolysis

Originally submitted to PLaSMo on 2012-03-05 11:43:15

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Glycolysis SBGN - PLM_60

sbgn model of signalling

Originally submitted to PLaSMo on 2012-03-05 11:53:41

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Insulin-like growth factor signaling - PLM_62

"LINTUL simulates potential growth of a crop, i.e. its dry matter accumulation under ample supply of water and nutrients in a pest-, disease- and weed-free environment, under the prevailing weather conditions. The rate of dry matter accumulation is a function of irradiation and crop characteristics. The model makes use of the common observation that the crop growth rate under favourable conditions is proportional to the amount of light intercepted (Monteith, 1977). Dry matter production is, ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Muetzelfeldt, Robert

Study: LINTUL - PLM_4

This is a verified version of the model named Ā LINTULĀ in this repository. The model is verified against the benchmark FST implmmentation. LINTUL assumesĀ non-limiting conditions. See the "LINTUL" model entry in this repository for a description

Originally submitted to PLaSMo on 2011-02-23 00:08:23

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Massheder, Jonathan

Study: LINTUL_V2 - PLM_42

This version is derived from a model from the article: Extension of a genetic network model by iterative experimentation and mathematical analysis. Locke JC, Southern MM, Kozma-BognÔr L, Hibberd V, Brown PE, Turner MS, Millar AJ Mol. Syst. Biol. 2005; 1: 2005.0013 16729048,  SBML model of the interlocked feedback loop network The model describes the circuit depicted in Fig. 4 and reproduces the simulations in Figure 5A and 5B. It provides initial conditions, parameter values and rules for the ...

This is a version derived from a model from the article: Experimental validation of a predicted feedback loop in the multi-oscillator clock of Arabidopsis thaliana. Locke JC, Kozma-BognÔr L, Gould PD, Fehér B, Kevei E, Nagy F, Turner MS, Hall A, Millar AJ Mol. Syst. Biol.2006;Volume:2;Page:59 17102804,  

The model describes a three loop circuit of the Arabidopsis circadian clock. It provides initial conditions, parameter values and reactions for the production rates of the following species: LHY ...

Test by Martin for simileXML

Originally submitted to PLaSMo on 2012-03-08 11:39:23

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Martin test - PLM_65

Test by Martin for simileXML

Version Comments

Version 2, the product of many seconds of research..



Originally submitted to PLaSMo on 2012-03-08 11:39:23

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Martin test - PLM_65

This is a very simple generic vegetation model, with just one state variable (plant biomass), and two processes: assimilation and respiration. Ā  In the original paper, the model is used twice, once for the trees and once for the grass under the trees, with the grass receiving light not intercepted by the trees. Ā  The model provided here is just for a single vegetation component.Related PublicationsMcMurtrie RE, Wolf L (1983). A model of competition between trees and grass for radiation, water and ...

This is a very simple generic vegetation model, with just one state variable (plant biomass), and two processes: assimilation and respiration. Ā  In the original paper, the model is used twice, once for the trees and once for the grass under the trees, with the grass receiving light not intercepted by the trees. Ā  The model provided here is just for a single vegetation component.Related PublicationsMcMurtrie RE, Wolf L (1983). A model of competition between trees and grass for radiation, water and ...

Validation: Validated against the original running in Excel. Each calculation in the model was individually validated as well. Comments on numerical integration: Euler integration with time steps of 1. In Simile the "time units" were set to "day" and execution was for 364 days as the simulation starts at time 0 (not time 1 as in the Excel model). Comments on running Simile model: Users must specify the temperature controlled growing season themselves. To do this use the following steps which take ...

Model files accompanying Seaton et al., Molecular Systems Biology, 2015 Abstract: Clock?regulated pathways coordinate the response of many developmental processes to changes in photoperiod and temperature. We model two of the best?understood clock output pathways in Arabidopsis, which control key regulators of flowering and elongation growth. In flowering, the model predicted regulatory links from the clock to CYCLING DOF FACTOR 1 (CDF1) and FLAVIN?BINDING, KELCH REPEAT, F?BOX 1 (FKF1) transcription. ...

This is a modified version of Biomodels89, containing a light-forcing function. This variant is configured to run cycles of LD8:16Related Publicationsocke JC, Kozma-BognƔr L, Gould PD, FehƩr B, Kevei E, Nagy F, Turner MS, Hall A, Millar AJ. (2006). Experimental validation of a predicted feedback loop in the multi-oscillator clock of Arabidopsis thaliana. . Mol Syst Biol . Originally submitted to PLaSMo on 2012-03-29 10:24:44

Neuronal musch signalling sbml diagram

Originally submitted to PLaSMo on 2012-03-05 12:33:43

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Beaton, Martin

Study: Neuronal muscle signalling - PLM_63

Ā This model is derived from Biomodels 299 - the Leloup et al Neurospora clock model. This variant contains an embedded light-forcing function (SBO:000475) that provides a periodic light input. In this model, after 72h of LD12:12, the amplitude of Vs ( the light dependent parameter ) increases to 4.1, leading to chaotic oscillations. For this to happen, the periodic light function needs to produce a square-wave pattern.Ā Ā Ā  Execution of this model will result in the behaviour depicted in Figure 2D ...

This model, derived from Biomodels299, is a variant of the Neurospora Circadian clock model of Leloup et al., 1999. It is supplemented with a periodic light function (SBO:0000475) that is parameterized to produce sinusoidal oscillations in the light sensitive parameter Vs with an amplitude of 5. These sinusoidal wave-form maintains entrained oscillations even with high light input, and is described in Figures 6 and 7 of Gonze and Goldbeter, 2000.Related PublicationsDidier Gonze and Albert Goldbeter ...

Draft of MEP pathway for isoprenoid synthesis, created 2012-2013 by Oender Kartal in the Gruissem lab. He notes "It contains some annotations and references for the parameter values and rate equations and produces a stable steady state, so you can do some control analysis. It simulates day-metabolism, since the MEP Pathway is supposedly active during the day." Unpublished, for use by TiMet consortium only.

Originally submitted to PLaSMo on 2013-09-13 09:10:53

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: OK MEP pathway 2013 - PLM_72

Andrew's work-in-progress P2012 version. NB KNOWN PROBLEMS do not use lightly. Derived from PLM_49, after removing ABA regulation and tidying up the SBML in COPASI. Please see version comments for IMPORTANT notes.Comments No parameters constrained in version 1 file. 2013-02-26 17:31:26 3 amillar2 andrew.millar@ed.ac.uk Compiled successfully in SBSI for optimisation. 2013-02-26 17:28:18 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Version 1 is file P2012_NoSinkNoABAParamsNom38_freshCopasi.xml ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: P2012_AJMv2_NoABA - PLM_69

Andrew's work-in-progress P2012 version. NB KNOWN PROBLEMS do not use lightly. Derived from PLM_49, after removing ABA regulation and tidying up the SBML in COPASI. Please see version comments for IMPORTANT notes.Comments No parameters constrained in version 1 file. 2013-02-26 17:31:26 3 amillar2 andrew.millar@ed.ac.uk Compiled successfully in SBSI for optimisation. 2013-02-26 17:28:18 3 amillar2 andrew.millar@ed.ac.ukVersion Comments Version 2 is file P2012_fin_NoABAv4.xml of 6th March.

It ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Millar, Andrew (ex-PlaSMo models)

Study: P2012_AJMv2_NoABA - PLM_69

This is part of the GreenLab Functional-Structural Plant Model for Arabidopsis published in Christophe et al 2008. This model was re-factored, to facilitate the integration in the Chew et al Framework Model, and it cannot be run as a standalone model.Ā  Related PublicationsAngĆ©lique Christophe A E, VĆ©ronique Letort B, IrĆØne Hummel A, Paul-Henry CournĆØde B, Philippe de Reffye C, JĆ©rĆ©mie Lecœur (2008). A model-based analysis of the dynamics of carbon balance at the whole-plant level in Arabidopsis ...

The model is an extensio of PLM_67v3 with an additional an additional variable Temp in ODE 25. This change allows to simulated warm pulses that affect EC stability using COPASI.Ā 

Originally submitted to PLaSMo on 2014-03-10 13:16:25

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Urquiza Garcia, Uriel

Study: PLM_67v3withTempPulse - PLM_81

This is the SimileXML for the Salazar model linked to the T6P/TPS pathway (Wahl et al. Science 2013). The Simile version of this model and the parameter file are also attached here. Time series data of T6P and FT mRNA for Col wild type and tps1 mutant from Fig. 1 in Wahl et al were used to re-optimise Bco, KCO, kT6P and vT6P (which replaces VCO). Note: This set of parameter values has only been optimised and tested for a 16:8 light:dark cycle, and the initial values in the Simile model are for ...

The model shows how the CONSTANS gene and protein in Arabidopsis thaliana forms a day-length sensor. It corresponds to Model 3 in the publication of Salazar et al. 2009. Matlab versions of all the models in the paper are attached to this record as a ZIP archive, as are all the data waveforms curated from the literature to constrain the model. Further information may be available via links from the authors web site (www.amillar.org). Simulation notes for SBML version of Model3 from Salazar et al., ...

The model shows how the CONSTANS gene and protein in Arabidopsis thaliana forms a day-length sensor. It corresponds to Model 3 in the publication of Salazar et al. 2009. Matlab versions of all the models in the paper are attached to this record as a ZIP archive, as are all the data waveforms curated from the literature to constrain the model. Further information may be available via links from the authors web site (www.amillar.org). Simulation notes for SBML version of Model3 from Salazar et al., ...

This is the SimileXML for the Salazar2009_FloweringPhotoperiod model in PlaSMo. It corresponds to Model 3 in the publication of Salazar et al 2009. The Simile version of this model is also attached here. Instructions to run the Photoperiodism Model in Simile 1.Ā Ā Ā Ā Ā Ā  Save all the files into the same folder. 2.Ā Ā Ā Ā Ā Ā  Copy and paste the attached ā€˜lightfunction.pl’ file in the following folder: Ā Ā Ā Ā Ā Ā Ā Ā Ā Ā  Program File > Simile6.0 (or other software version)> Functions 3.Ā Ā Ā Ā Ā Ā  Download the ...

Detailed model of starch metabolism from Sorokina et al. BMC Sys Bio 2011. First upload is a draft.

Related Publications
Sorokina et al (2011). BMicroarray data can predict diurnal changes of starch content in the picoalga Ostreococcus.. BMC Systems Biology. Retrieved from: http://www.ncbi.nlm.nih.gov/pubmed/21352558

Originally submitted to PLaSMo on 2011-08-12 15:34:00

The model is applied to spring wheat, with ample supply of nutrients and water, also without pests, diseases and weeds. Radiation and temperature, being the most important environmental factors, and crop characteristics determine growth and development. Crop growth and development are simulated based on underlying chemical, physiological and physical processes. Dry matter accumulation is calculated from daily crop CO2 assimilation based on leaf CO2 assimilation and taking into account the respiration ...

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where the light accumulator (acc) has been eliminated by replacing it with immediate light input. This model was used to generate Figure 2F in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to environmental signals. New Phytologist. Originally ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, acc immediate - PLM_83

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where the light accumulator (acc) has been eliminated by setting its value to 1. This model was used to generate Figure 2F in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to environmental signals. New Phytologist. Originally submitted to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, acc on - PLM_84

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the degradation rate of CCA1 has been eliminated by setting the rate to the value it had in the dark in the original model. This model was used to generate Figure 2B in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, CCA1 degr D - PLM_86

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the degradation rate of CCA1 has been eliminated by setting the rate to the value it had in the light in the original model. This model was used to generate Figure 2B in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, CCA1 degr L - PLM_85

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the transcription rate of CCA1 has been eliminated by setting the rate to the value it had in the dark in the original model. This model was used to generate Figure 2C in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, CCA1 prod D - PLM_88

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the transcription rate of CCA1 has been eliminated by setting the rate to the value it had in the light in the original model. This model was used to generate Figure 2C in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, CCA1 prod L - PLM_87

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the activation rate of TOC1 has been eliminated by setting the rate to the value it had in the dark in the original model. This model was used to generate Figure 2E in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, TOC1 act D - PLM_92

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the activation rate of TOC1 has been eliminated by setting the rate to the value it had in the light in the original model. This model was used to generate Figure 2E in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, TOC1 act L - PLM_91

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the degradation rate of TOC1 has been eliminated by setting the rate to the value it had in the dark in the original model. This model was used to generate Figure 2D in Dixon et al. New Phytologist (2014)Related PublicationsLaura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses to ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, TOC1 degr D - PLM_90

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the degradation rate of TOC1 has been eliminated by setting the rate to the value it had in the light in the original model. This model was used to generate Figure 2D in Dixon et al. New Phytologist (2014)Related Publications Laura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, TOC1 degr L - PLM_89

This is a version of the T2011.1.2 Ostreococcus tauri 1-loop clock model where light input to the degradation rate of TOC1 has been eliminated by setting the rate to the value it had in the light in the original model. This model was used to generate Figure 2D in Dixon et al. New Phytologist (2014)Related Publications Laura E. Dixon, Sarah K. Hodge, Gerben van Ooijen, Carl Troein, Ozgur E. Akman, Andrew J. Millar (2014). Light and circadian regulation of clock components aids flexible responses ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: T2011 Ostreococcus clock, TOC1 degr L - PLM_89

TiMet flower specific protein detection network

Originally submitted to PLaSMo on 2012-03-02 12:39:54

Trial upload of the pollen netwrok from TiMet

Originally submitted to PLaSMo on 2012-02-27 12:17:46

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 Pollen network - PLM_54

Trial upload of the pollen netwrok from TiMet

Version Comments

Live pollen upload test



Originally submitted to PLaSMo on 2012-02-27 12:17:46

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 Pollen network - PLM_54

PP interaction network exported from Cytoscape in XGMML

Originally submitted to PLaSMo on 2012-03-02 12:32:33

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 PP interaction network - PLM_56

Test for root network

Originally submitted to PLaSMo on 2012-02-27 14:24:59

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 Root network - PLM_55

The seed network, uploaded as a test from Cytoscape

Version Comments

Saving second/third version as a live test



Originally submitted to PLaSMo on 2012-02-24 11:41:50

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 seed network - PLM_53

The seed network, uploaded as a test from Cytoscape

Version Comments

Uploading new version for testing



Originally submitted to PLaSMo on 2012-02-24 11:41:50

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Graf, Alexandra

Study: TiMet 2011 seed network - PLM_53

Cytoscape shoot specific diurnal transcript oscillation.

Originally submitted to PLaSMo on 2012-03-02 12:42:30

Cytoscape silqueue specific protein detection

Originally submitted to PLaSMo on 2012-03-02 12:44:13

"TRIFFID (Top-down Representation of Interactive Foliage and Flora Including Dynamics)" is a dynamic global vegetation model, which updates the plant distribution and soil carbon based on climate-sensitive CO2 fluxes at the land-atmosphere interface. The surface CO2 fluxes associated with photosynthesis and plant respiration are calculated in the MOSES 2 tiled land-surface scheme (Essery et al (In preparation)), on each atmospheric model timestep (normally 30 minutes), for each of 5 plant functional ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Muetzelfeldt, Robert

Study: TRIFFID - PLM_5

This is a model of the circadian clock of Ostreococcus tauri, with a single negative feedback loop between TOC1 and CCA1 (a.k.a. LHY), and multiple light inputs. It was used and described in Troein et al., Plant Journal (2011). The model has been tested in Copasi, where it reproduces the behaviour of the original (which consisted of equations loaded from a text file by a more or less custom C++ program).Comments Not formulated to easily allow addition of the ISSF to replace the present light ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Troein, Carl

Study: Troein Ostreococcus clock 1-loop - PLM_7

This is a model of the circadian clock of Ostreococcus tauri, with a single negative feedback loop between TOC1 and CCA1 (a.k.a. LHY), and multiple light inputs. It was used and described in Troein et al., Plant Journal (2011). The model has been tested in Copasi, where it reproduces the behaviour of the original (which consisted of equations loaded from a text file by a more or less custom C++ program).Comments Not formulated to easily allow addition of the ISSF to replace the present light ...

Photothermal model for Arabidopsis development, as published, converted to Simile format by Yin-Hoon Chew. Note that the XML file is just a dummy SBML file, the .SML is the working model file. Simile can read csv files (as attached) for meteorological data (hourly temperature, sunrise, sunset). Users only need to change the directory of the input variables. I have also attached the set of parameter values for each genotype.Related PublicationsWilczek et al. (2009). Effects of Genetic Perturbation ...

Photothermal model for Arabidopsis development, as published, converted to Simile format by Yin-Hoon Chew. Note that the XML file is just a dummy SBML file, the .SML is the working model file. Simile can read csv files (as attached) for meteorological data (hourly temperature, sunrise, sunset). Users only need to change the directory of the input variables. I have also attached the set of parameter values for each genotype.Related PublicationsWilczek et al. (2009). Effects of Genetic Perturbation ...

tbd

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Related PublicationsMe and Helena (2014). some book. Moore A, Zielinski T, Millar AJ (2014). Online period estimation and determination of rhythmicity in circadian data, using the BioDare data infrastructure.. Methods in molecular biology (Clifton, N.J.). Retrieved from: doi.org/10.1007/978-1-4939-0700-7_2Stein JM (1975). The effect of adrenaline and of alpha- and beta-adrenergic blocking agents on ATP concentration and on incorporation of 32Pi into ATP in rat fat cells.. Biochemical pharmacology. ...

Submitter: BioData SynthSys

Biological problem addressed: Gene Regulatory Network

Investigation: Zielinski, Tomasz

Study: 1 hidden item

Kinetic characterisation and mathematical modelling of XDH.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Initial rate kinetics

Kinetic characterisation and mathematical modelling of XLA.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Initial rate kinetics

Kinetic characterisation and mathematical modelling of XAD.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Initial rate kinetics

Kinetic characterisation and mathematical modelling of KDXD.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Initial rate kinetics

Kinetic characterisation and mathematical modelling of KGSADH.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Initial rate kinetics

Conversion of Xyl to XLAC by Caulobacter crescentus XDH, measured in NMR.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Progress curves

Conversion of XLAC to XA by Caulobacter crescentus XLA, measured in NMR.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Progress curves

Conversion of XA to KDX by Caulobacter crescentus XAD, measured in NMR.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Progress curves

Conversion of KDX to KGSA by Caulobacter crescentus KDXD, measured in NMR.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Progress curves

Conversion of KGSA to KG by Caulobacter crescentus KGSADH, measured in NMR.

Conversion of XYL to KG by sequential addition of Weimberg pathway enzymes of Caulobacter crescentus, measured in NMR. https://jjj.bio.vu.nl/models/experiments/shen2020_fig2c/simulate

Conversion of XYL to KG in one pot cascade of Weimberg pathway enzymes of Caulobacter crescentus, measured in NMR. https://jjj.bio.vu.nl/models/experiments/shen2020_fig3a/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: One pot cascade

Conversion of XYL to KG in one pot cascade of Weimberg pathway enzymes of Caulobacter crescentus, omitting XLA, measured in NMR. https://jjj.bio.vu.nl/models/experiments/shen2020_fig3c/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: One pot cascade

Conversion of XYL to KG in one pot cascade of Weimberg pathway enzymes of Caulobacter crescentus, with NAD recycling, measured in NMR. https://jjj.bio.vu.nl/models/experiments/shen2020_fig3b/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: One pot cascade

Conversion of XYL to KG in one pot cascade of Weimberg pathway enzymes of Caulobacter crescentus, using old enzymes with optimal protein distribution, with NAD recycling, measured in NMR. https://jjj.bio.vu.nl/models/experiments/shen2020_fig3d/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: One pot cascade

Conversion of XYL to KG in a cell free extract of Caulobacter crescentus, with 0.15 mM Mn2+ added, and with NAD recycling, metabolites measured enzymatically. https://jjj.bio.vu.nl/models/experiments/shen2020_fig4b/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Cell free extract

Conversion of XYL to KG in a cell free extract of Caulobacter crescentus, with 0.15 mM Mn2+ added, but no NAD recycling, metabolites measured enzymatically. https://jjj.bio.vu.nl/models/experiments/shen2020_fig4c/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Cell free extract

Conversion of XYL to KG in a cell free extract of Caulobacter crescentus, without Mn2+ added, but with NAD recycling, metabolites measured enzymatically. https://jjj.bio.vu.nl/models/experiments/shen2020_fig4d/simulate

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Cell free extract

Model files for FMv1.5. The model is based on FMv1 of Chew et al. PNAS 2014, which is also in FAIRDOMHub and linked to the Model record as an 'Attribution'. FMv1 was extended in this work by Hannah Kinmonth-Schultz and Daniel Seaton, in Matlab.

This is a collection of data that have been used to analyse data on deep eutectic solvent mixtures of choline chloride:glycerol:water.

Submitter: Gudrun Gygli

Biological problem addressed: Model Analysis Type

Investigation: Deep Eutectic Solvents

Study: Choline chloride:glycerol:water mixtures in CML

Differential expression analysis (using R package edgeR) on liver gene expression between salmon with all four fads2 genes knockout, only fads2d6b & fads2d6c knockout and wildtype. All salmon was given either a low-PUFA diet or a high-PUFA diet

Submitter: Yang Jin

Biological problem addressed: Model Analysis Type

Investigation: Knockout omega-3 genes to perturb LC-PUFA metab...

Study: FADS Knockout

No description specified

Submitter: Evert Bosdriesz

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: 1 hidden item

This is the analysis part of the Simulation Foundry, Version 1.5.

Download and unpack the zip file and the .sh bash script. Copy them into a folder which has a meaningful name. Launch the bash script, following the instructions in the manual.

Make sure you followed the instructions in "Preparation" before running this.

Submitter: Gudrun Gygli

Biological problem addressed: various analyses of molecular dynamics simulations

Investigation: 1 hidden item

Study: Simulation Foundry for Methanol-Water Mixtures

Here would be the results from the Analysis part of the Simulation foundry. For the newest version, which was improved based on reviewers comments to represent best practices, of the Simulation Foundry for Methanol-Water mixtures no such results exist yet.

Submitter: Gudrun Gygli

Biological problem addressed: various analyses of molecular dynamics simulations

Investigation: 1 hidden item

Study: Simulation Foundry for Methanol-Water Mixtures

Assay: _A_01_evigene Short Name: 01_evigene Assay Class: DRY Assay Type: evigene Title: EvidentialGene tr2aacds.pl VERSION 2016.07.11 Description: See http://eugenes.org/EvidentialGene/about/EvidentialGene_trassembly_pipe.html pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_02.1_BUSCO Short Name: 02.1_BUSCO Assay Class: DRY Assay Type: BUSCO Title: BUSCO on assemblies and tr2aacds output Description: BUSCO on assemblies and tr2aacds output pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Submitter: Maja Zagorscak

Biological problem addressed: Validation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Assay: _A_02.2_assembly-contribution-count Short Name: 02.2_assembly-contribution-count Assay Class: DRY Assay Type: count Title: assembly contribution count Description: assembly contribution count, input/output tr2aacds pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_02.3_InterProScan Short Name: 02.3_InterProScan Assay Class: DRY Assay Type: InterProScan Title: InterProScan on tr2aacds output Description: InterProScan on tr2aacds output pISA Assay creation date: 2019-10-22 pISA Assay creator: Marko Petek Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_02.4_STAR Short Name: 02.4_STAR Assay Class: DRY Assay Type: STAR Title: mapping reads back to evigene .tr output Description: mapping reads back to evigene .tr output using STAR to check the percentage of reads that map pISA Assay creation date: 2019-10-22 pISA Assay creator: Marko Petek Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_02.5_STARlong_matchAnnot Short Name: 02.5_STARlong_matchAnnot Assay Class: DRY Assay Type: matchAnnot Title: potato transcriptome v2 (evigene) STARlong mapping of transcripts to reference genome and MatchAnnot to get transcript annotations Description: potato initial transcriptome (evigene) STARlong mapping of transcripts to reference genome and MatchAnnot to get transcript annotations pISA Assay creation date: 2019-10-22 pISA Assay creator: Marko Petek Phenodata: None Featuredata: None ...

Assay: _A_02.6_TransRate Short Name: 02.6_TransRate Assay Class: DRY Assay Type: TransRate Title: TransRate stat on raw tr2aacds transcriptomes Description: TransRate stat on raw (initial) tr2aacds transcriptomes, basic and reference-based pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Nonde Data: see ./input/path_to_files.txt

Submitter: Maja Zagorscak

Biological problem addressed: Validation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Assay: _A_02.7_VecScreen Short Name: 02.7_VecScreen Assay Class: DRY Assay Type: VecScreen Title: VecScreen on raw tr2aacds output Description: VecScreen (contamination screening) and blastn (contaminants annotation) on raw (initial) tr2aacds output pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_02.8_DIAMOND Short Name: 02.8_DIAMOND Assay Class: DRY Assay Type: DIAMOND Title: DIAMOND on raw tr2aacds output Description: DIAMOND on raw tr2aacds output, both .cds and .tr; including lost and found pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Submitter: Maja Zagorscak

Biological problem addressed: Annotation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Assay: _A_03.1_filtering Short Name: 03.1_filtering Assay Class: DRY Assay Type: filtering Title: Filtering according to biological evidence; removal of contaminants, chimeras and suspicious constructs Description: Filtering according to biological evidence; removal of contaminants, chimeras and suspicious constructs pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Assay: _A_03.2_components Short Name: 03.2_components Assay Class: DRY Assay Type: components Title: Components: tr2aacds headers, cdhit-2d Description: Components: tr2aacds headers, cdhit-2d; post-filtering redefinition of paralogue clusters pISA Assay creation date: 2019-10-22 pISA Assay creator: Ziva Ramsak Phenodata: None Featuredata: Data:

Submitter: Maja Zagorscak

Biological problem addressed: Annotation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Assay: _A_04_TransRate Short Name: 04_TransRate Assay Class: DRY Assay Type: TransRate Title: TransRate post filtering and reassignment Description: TransRate post filtering and reassignment pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Submitter: Maja Zagorscak

Biological problem addressed: Validation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Assay: _A_05_BUSCO Short Name: 05_BUSCO Assay Class: DRY Assay Type: BUSCO Title: BUSCO post filtering and reassignment Description: BUSCO post filtering and reassignment pISA Assay creation date: 2019-10-22 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: None Data: see ./input/path_to_files.txt

Submitter: Maja Zagorscak

Biological problem addressed: Validation

Investigation: _I_STRT

Study: _S_03_stCuSTr

Empty assay

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: FAIRDOMhub API usage in R

No description specified

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: Caulobacter crescentus Weimberg pathway

Study: Cell free extract

P2011.1.2 written in Antimony and converted in SBML using python package Tellurium. Parameters values correspond to P2011.1.2

This section contains the links to the tools used for reproducing the computational results presented in U2019. This is required because SloppyCell is under the risk of becoming rotting code. Using Docker we can assure some persistence for the computational environment that allows to run SloppyCell.

The associated git repository can be found in https://github.com/jurquiza/Urquiza2019a.git which can be cloned.

The docker image can either be pulled from the docker hub site

docker pull ...

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Supplemental files for the publication

Links to additional gitlab repositories

Submitter: Malte Herold

Biological problem addressed: Model Analysis Type

Investigation: SysMetEx - Dataset collection

Study: Supplemental Files

No description specified

Extraction of causalities from transcription and translation reactions from the Reactome pathway database.

Short Name: cdhit_3cvs-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: cdhit-est and cdhit-2d on 3cv and ITAG/PGSC Description: cdhit-est and cdhit-2d on 3cv and ITAG/PGSC pISA Assay creation date: 2020-03-09 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: _I_STRT

Study: _S_04_stPanTr

Short Name: 01_GC_content-count Assay Class: DRY Assay Type: count Title: GC content and sequence length Description: A, C, T, G content and sequence length pISA Assay creation date: 2020-03-09 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data: ../input/path_to_files.txt

Short Name: 04_BUSCO_3cvs-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: BUSCOs Description: BUSCO on ITAG, PGSC, ITAG/PGSC merged, pan-transcriptome representatives, pan-transcriptome alternatives, and pan-transcriptome pISA Assay creation date: 2020-03-10 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Short Name: 07_Desiree-mapping Assay Class: DRY Assay Type: mapping Title: Desiree mapping Description: Mapping of Desiree samples (drought stress) to Desiree and Phureja transcriptomes pISA Assay creation date: 2020-03-11 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: _I_STRT

Study: _S_04_stPanTr

Short Name: 09_annotation-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: Pan-transcriptome fasta files annotation Description: Annotation of pan-transcriptome and re-annotation of cultivar-specific transcriptomes pISA Assay creation date: 2020-03-11 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Short Name: 03_components_3cvs-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: components Description: representative and alternative pan-transcriptome CDS and polypeptide fasta files pISA Assay creation date: 2020-03-10 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: _I_STRT

Study: _S_04_stPanTr

Short Name: 05_MSA_3cvs-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: MSA 3cv and GFF-merged Description: Multiple sequence alignment of Desiree, PW363, Rywal and ITAG/PGSC pISA Assay creation date: 2020-03-10 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Short Name: 06_tr_rep-transrate Assay Class: DRY Assay Type: transrate Title: Cultivar representative transcriptome transrate Description: Transrate on cultivar specific representatives, GFF merged as a reference for CRRB pISA Assay creation date: 2020-03-11 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: _I_STRT

Study: _S_04_stPanTr

Short Name: 08_centrifuge_3cvs-GFFmerged Assay Class: DRY Assay Type: GFFmerged Title: Centrigufe pan-transcriptome sequence classification Description: Classify cv rep transcripts and pan-transcriptome singletons based on taxonomy pISA Assay creation date: 2020-03-11 pISA Assay creator: Maja Zagorscak Phenodata: None Featuredata: Data:

Submitter: Andrej Blejec

Biological problem addressed: Model Analysis Type

Investigation: _I_STRT

Study: _S_04_stPanTr

Collection of clock models that rescale transcript variables to account for absolute units. The relationship between models is summarised in the attached 'model evolution' document and in more detail in the linked publications (preprint version linked in the Snapshot; publication Urquiza and Millar, In Silico Plants 2021 did not have a DOI when Snapshot was created).

Each model is presented three times,

    • without a light:dark cycle,
    • with an ISSF (Adams et al. JBR 2012) that is set up for ...
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To obtain each of the figure 2A - 2E please download "Main Figure Copasi" and open the sub-directory with the name of the sub-figure, run the Copasi files and the time dependence simulation. This will reproduce the figure in this paper.

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To obtain each of the figure 4A - 4D please download "Main Figure 4 Copasi" and open the sub-directory with the name of the sub-figure, run the Copasi files and the time dependence simulation. This will reproduce the figure in this paper.

Computational prediction of physicochemical and advanced descriptors related to ADME-Tox.

Assessment of possible linear correlations between predicted ADMET descriptors from QikProp (Schrƶdinger, LLC, New York, NY) runs and experimentally determined activities against T. brucei brucei bloodstream forms with the help of a Python script.

Assessment of the possible multiple correlation between experimentally determined TbPTR1 and TbDHFR inhibition values and corresponding anti-parasitic activities against T. brucei brucei bloodstream forms using a Python script.

In silico check and filtering for potential Pan-assay interference compounds.

Compound data, library construction schemes and preparation routine for small drug-like molecules as ligands in docking and for further analysis.

Docking results of pteridine-based compounds in different target PTR1 and DHFR receptors and the off-target human DHFR when using an induced fit docking routine with an initial crude ligand placement step, subsequent receptor optimization in response to ligand binding and another docking step into the optimized receptor.

Here, we conduct a proof of principle by comparing a 2D and 3D fluorescent image analysis based approach on unlabeled cardiomyocytes. Based on the CellProfiler software, we extracted high-dimensional features of individual cells and nuclei, which are subsequently down-sampled and clustered. These clusters are furthermore benchmarked via different machine learning classifiers (e.g., AdaBoost, Gradient Boosting, Random Forest) as the ground truth for our proposed approach.

Submitter: Markus Wolfien

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: 1 hidden item

Application of the LoRAS oversampling approach on single-cell/single-nuclei data to annotate/identify specific cell populations in new data based on previously, manually curated data.

Build the chemical defensome gene list for 5 fish: Zebrafish (Danio rerio), Atlantic cod (Gadus morhua), medaka (Oryzias latipes), Atlantic killifish (Fundulus heteroclitus) and stickleback (Gasterosteus aculeatus). Source code and relevant files can be found on GitHub: https://github.com/zhxiaokang/fishDefensome/tree/main/defensomeGenes

Submitter: Xiaokang Zhang

Biological problem addressed: Stress response/Adaptation

Investigation: 1 hidden item

Study: The chemical defensome of fish

To study the defensome genes' expression in early developmental stages of zebrafish and stickleback. Souce code and relevant files can be found on GitHub: https://github.com/zhxiaokang/fishDefensome/tree/main/developmentalStages

Exposing zebrafish to benzo(a)pyrene (B(a)P) (gene counts from NCBI GEO: GSE64198, previously published by Fang, et al. 2015. Souce code and relevant files can be found on GitHub: https://github.com/zhxiaokang/fishDefensome/tree/main/exposureResponse

Submitter: Xiaokang Zhang

Biological problem addressed: Stress response/Adaptation

Investigation: 1 hidden item

Study: The chemical defensome of fish

A Weighted Gene Co-Expression Network Analysis (WGCNA) of breast cancer prognostic genes (derived from transcriptome data from the TCGA Genomics Data Commons (GDC) data portal (https://portal.gdc.cancer.gov/)), and cancer hallmark genes.

A Jaccard Index of the overlap between prognostic and hallmark genes for 17 cancer types across different mapping schemes. The impact of selecting different mapping schemes was assessed by pairwise comparisons where there were 5 or more shared genes.

No description specified

Submitter: Vincent Wagner

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: SiCaSMA: An alternative stochastic description ...

Compound data and computational prediction of physicochemical properties

No description specified

For scRNA-Seq, iSABs were dissociated using the Primary Cardiomyocyte Isolation Kit (Thermo Fisher Scientific) before library preparation was performed using the 10xGenomics system with subsequent sequencing on the HighSeq4000 (Illumina). The mouse-SAN scRNA-Seq protocol is described in Goodyer et al. Preprocessing of raw sequencing data from iSABs relied on tools of the Cell Ranger Software (v.6.1.0) as was the procedure in Goodyer et al. Downstream analyses were conducted similar for both ...

Submitter: Anne-Marie Galow

Biological problem addressed: Gene Expression

Investigation: 1 hidden item

Study: Quality control in scRNA‑Seq can discriminate p...

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This Jupyter Notebook assists you in the design of initial rate experiments.

For help on installing the classical Jupyter Notebook, see here: https://jupyter.org/install

For documentation about Juypter Notebooks, see here: https://jupyter-notebook.readthedocs.io/en/stable/

There are multiple tutorials online that help you to learn how to use a Jupyter notebook.

The notebook is provided as an .ipynb and as a .pdf file.

The plots the script generates with the default values are also given as .png ...

This Jupyter Notebook assists you in the analysis of initial rate experiments.

For help on installing the classical Jupyter Notebook, see here: https://jupyter.org/install

For documentation about Juypter Notebooks, see here: https://jupyter-notebook.readthedocs.io/en/stable/

There are multiple tutorials online that help you to learn how to use a Jupyter notebook.

The notebook is provided as an .ipynb and as a .pdf file. The plots the script generates with the default input data are also given as ...

Usage of fine-tuned BioBERT for identification of chemical entities

Using semantic search in MesH and PubChem databases for entity linking

This Jupyter Notebook assists you in understanding how a Selwyn Test works.

For help on installing the classical Jupyter Notebook, see here: https://jupyter.org/install

For documentation about Juypter Notebooks, see here: https://jupyter-notebook.readthedocs.io/en/stable/

There are multiple tutorials online that help you to learn how to use a Jupyter notebook.

The notebook is provided as an .ipynb and as a .pdf file.

The plots the script generates with the default values are also given as .png ...

Submitter: Gudrun Gygli

Biological problem addressed: Model Analysis Type

Investigation: On the reproducibility of enzyme reactions and ...

Study: Selwyn Test

This Jupyter Notebook assists you in understanding how a progress curve experiment can look like.

For help on installing the classical Jupyter Notebook, see here: https://jupyter.org/install

For documentation about Juypter Notebooks, see here: https://jupyter-notebook.readthedocs.io/en/stable/

There are multiple tutorials online that help you to learn how to use a Jupyter notebook.

The notebook is provided as an .ipynb and as a .pdf file.

The plots the script generates with the default values are ...

The experimental data of Midazolam, OH-Midazolam, Caffein, Codeine, Norcodeine, Codein-6Glucuronide, Morphine-3Glucuronide and Morphine was analyzed via a Bayesian uncertainty quantification. An underlying model describing the bolus injection, followed by the exponential decay was written in sbml and a PEtab problem was created. The sampling and ensemble creation was conducted with the python toolbox pyPESTO.

For further details, please take a look at the methods section of the paper.

The spatio-temporal model that allows investigating the structure of glycogen in three dimensions . The model is based on a stochastic process that simulates the key enzymatic steps. The model is designed to track the position of all glucose units in time together with the activities of the enzymatic reactions. The four main reactions involved in synthesis and degradation (catalysed by Glycogen Synthase - GYS, Glycogen Branching Enzyme - GBE, Glycogen Phosphorylase – GLP - and Glycogen Debranching ...

Submitter: Yvan Rousset

Biological problem addressed: Metabolism

Investigation: 1 hidden item

Study: 1 hidden item

The experimental data of Midazolam, OH-Midazolam, Caffein, Codeine, Norcodeine, Codein-6Glucuronide, Morphine-3Glucuronide and Morphine was analyzed via a Bayesian uncertainty quantification. An underlying model describing the bolus injection, followed by the exponential decay was written in sbml and a PEtab problem was created. The sampling and ensemble creation was conducted with the python toolbox pyPESTO.

For further details, please take a look at the methods section of the paper.

This section contains the links to the tools used for reproducing the computational results presented in Urquiza-Garcia et al. 2022. This is required in particular because the SloppyCell model optimisation software is at some risk. Using Docker we can assure persistence for the computational environment that allows you to run SloppyCell.

The associated git repository can be found in https://hub.docker.com/r/uurquiza/urquiza2019a_tellurium_sloppycell/tags which can be cloned.

The docker image can ...

Jupyter lab notebook that contains the models and data that for predicting protein levels based on mRNA data from TiMet projecto

Analysis for inferring the number of molecules of clock proteins using recombinant NanoLUC

The statistical analysis was performed in a jupyter notebook. This notebook contains the commands for all performed analyses (Statistical_analysis_of_FAIR_citations.ipynb)

The Bayesian Estimation Superseeds the t Test (BEST) method of Kruschke 2013 was used for the Bayesian significance testing. The method was implemented in a python class together with visualization and distributional analysis methods (BEST_method_python_Kruschke2012.py). Also the bayesian multiple comparison analysis can be ...

Submitter: Sebastian Hƶpfl

Biological problem addressed: Model Analysis Type

Investigation: 1 hidden item

Study: Bayesian hypothesis testing reveals that reprod...

The list of python packages used was obtained by typing inside the Docker image

pip list -- format==columns > python_packages_pip_installed.txt

This list the version of packages installed as we have observed issues related to the use of the most current version of some python packaged for example scipy

No description specified

Submitter: Yi Chen

Biological problem addressed: Gene Expression

Investigation: FAIR Functional Enrichment: Assessing and Model...

Study: FAIR Functional Enrichment

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Prepared multimeric tubulin protein receptors for docking studies, generated by alignment of two identical models of alpha-tubulin on alpha-tubulin chains of two neighboring protofilaments.

Docking results of trifluraline and dinitroaniline-etherphospholipid hybrids against different kinetoplastid alpha-tubulin receptors with an induced fit docking routine. The docking protocol involves an initial crude ligand placement step, subsequent receptor optimization in response to ligand binding, and another docking step into the optimized receptor.

Alignments of various alpha-tubulin and beta-tubulin sequences from dinitroaniline-sensitive and dinitroaniline-resistant species. Sequences were retrieved from UniProt with the identifiers listed below and subjected to a multiple sequence alignment using ClustalOmega (ebi.ac.uk/Tools/msa/clustalo/; ClustalOmega webserver, last accessed 16-02-23):

alpha-tubulin:

  • [dinitroaniline sensitive] T. cruzi - Q27352; T. brucei brucei - Q4GYY5; L. infantum - ...

Creation of homology models of various tubulins from dinitroaniline-sensitive and -resistant species, and a comparative analysis of their electrostatic potential grids overall and in putative binding site regions using PIPSA (Protein Interaction Property Similarity Analysis).

Validation of model's ability to predict oxygen consumption flux as measured usign permeabilised cells in an Oroboros Oxygraph. Generates Fig. 2A in the associated publication.

Download "Model_notebooks.rar", unzip, and run: "2, generate-model-Oroboros-validation-[needs(1)]-20221109.nb" and "4, Fig2A-Oroboros-simulation-data-[needs-(1-2-and-3)]-20221109.nb" after running "1, generate-model-20221109.nb"

Validation of model's ability to predict whole-body ketogeneic flux as extracted form Fletcher et al. (2019). Generates Fig. 2B in the associated publication.

Download "Model_notebooks.rar", unzip, and run: "2, generate-model-Oroboros-validation-[needs(1)]-20221109.nb" and "5, Fig2B-ketogenesis-validation-[needs-(1)]-20221109.nb" after running "1, generate-model-20221109.nb"

Submitter: Christoff Odendaal

Biological problem addressed: Validation

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model validation

Testing the model's ability to predict palmitoyl-CoA and octanoyl-CoA dehydrogenation in human liver lysate, with and without anti-MCAD and anti-VLCAD antibodies. Generates Fig. 2 C and D in the associated publication. Data from Aoyama et al. (1995).

Downoad and unzip "Model_notebooks.rar" and run "6, Fig2C+D-ACAD-partitioning-validation-[needs-(1)]-20221109.nb" after running "1, generate-model-20221109.nb".

Submitter: Christoff Odendaal

Biological problem addressed: Validation

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model validation

Prediction of patient urinary acylcarnitine under metabolic decompensation. Generates Fig. 3, Table 1, and Table S2 in the associated publication.

Download and unzip "Model_notebooks.rar" and run "7, Fig3+4+S1+S3-ACADDs-[needs-(1)]-20221109.nb" after running "1, generate-model-20221109.nb"

Submitter: Christoff Odendaal

Biological problem addressed: Model Analysis Type

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model analysis

Calculation of control and response coefficients. Generates Fig. 5, Fig. S4, and Table S2 in the associated publication.

Download "Model_notebooks.rar", unzip, and run: "8, Fig5-control-coefficients-[needs-(1)]-20221109.nb", "9, TableS2-response-coefficients-[needs-(1)]-20230302.nb", and "15, FigS4-control-coefficients-low-AcetylCoA-[needs-(1)]-20221109.nb" after running "1, generate-model-20221109.nb"

Submitter: Christoff Odendaal

Biological problem addressed: Model Analysis Type

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model analysis

Based on odendaal1, a control model is made and compared to model deficient for short-chain acyl-CoA dehydrogenase (SCADD, 0%), medium-chain acyl-CoA dehydrogenase (MCADD, 0%), and very long-chain acyl-CoA dehydrogenase (VLCADD, 10%). With and withou metabolite partitioning, and with a fixed mitohondrial free CoASH. Generates Figures 3, 4, S1, S2, and S3 in the related paper.

Download "Model_notebooks.rar", unzip, and run: "7, Fig3+4+S1+S3-ACADDs-[needs-(1)]-20221109.nb" and "14, ...

Submitter: Christoff Odendaal

Biological problem addressed: Model Analysis Type

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model analysis

Incrementally increase the activity of some target rescue enzymes from 20% of default expression to 200% of default expression in a control and MCADD model to see if flux and CoASH concentration are rescued. Generates Fig. 6, S5, and S6.

Download "Model_notebooks.rar", unzip, and run "11, Fig6+S5-rescues-[needs-(1-and-10)]-20221109.nb", "10, Fig6B-inset-rescues-(low-acetylCoA)-[needs-(1)]-20221109.nb", and "16, FigS6-rescues-20221109-fixed-[needs-(1)]-CoASH.nb" after running "1, generate-model-20221109.nb" ...

Submitter: Christoff Odendaal

Biological problem addressed: Model Analysis Type

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model analysis

Creation of personalised models of control, symptomatic MCADD, asymptomatic MCADD, and early diagnosis MCADD individuals using fibroblast proteomics to adjust model Vmaxes. Generates Fig. 7 and S7.

Download and unzip "Model_notebooks.rar" and run "13, Fig7-personalised-models-[needs-(1-and-12)]-20221109.nb" after running "1, generate-model-20221109.nb" and "12, Fig7-S7-preprocessing-[needs-(1)-]-20221109.nb".

Submitter: Christoff Odendaal

Biological problem addressed: Model Analysis Type

Investigation: Mitochondrial fatty acid oxidation in human liver

Study: Model analysis

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This script take the scaling paramters using synthetic protein data updates model paramaters

Minireviews about each enzyme in the mitochindrial beta-oxidation model on which the final parameter choices (fixed-parameter model) and parameter sampling distributions (ensemble) were based.

No description specified

Model simulations for 24h incubations with different ratios of HSD11B1 andd AKR1C3 transfected HEK293 cells are given in Mathematica notebook format.

The experimental data for PFK-1 and PFK-2 were analysed and fitted with a MWC equation. The model is described in Mathematica and the plots in the manuscript are generatedin the notebook.

Submitter: Jacky Snoep

Biological problem addressed: Model Analysis Type

Investigation: ADP dependent cyanobacterial PFK-A

Study: PFK-1 and PFK-2 kinetics

HSD11B1 was inhibitied by CBX and the effect of the inhibition on cortisone and 11KA4 conversion was simulated. The model was coded in Mathematica and the f=manuscript figures 3 A,B,C,D,E anbd F are presented in the notebook.

A mathematica notebook that simulates the combined effect of HSD11B1/AKR1C3 ratio variation and HSD11B1 inhibition.

Model simulation of cortisone or 11KA4 metabolism in human subcutaneous and omental adipose tissue, and the effect of AZD4017 inhibition of HSD11B1.

The promoter regions for clock genes that present a ChIP-seq signal were extracted from TAIR10 using costume python scripts using the gene list for Kamioka et al CCA1 or Daphne Ezer et al for LUX. The promoter was considered from the TSS of the gene until the annotated end of the upstream gene. Then, this region was scanned using the Energy Matrix derived using EMA working as a classifier for bound or unbound. After classification the calibrated PBM data calibrated using in vitro data was used ...

A file combining all CpG sites from the differentially methylated regions (DMRs) of the control, t0, and t1 groups was generated. This combined file, containing methylation values extracted from the bedgraph files, was then used to create a PCA plot and a single heatmap for all CpG sites across the regions.

Submitter: Ayat Ismail

Biological problem addressed: Modelling analysis

Investigation: 1 hidden item

Study: 1 hidden item

No description specified
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