A simulated zero-round experiment

Version 1

Work of the Gygli group...

Investigation 1: An experimental workflow to provide detailed information of the molecular mechanisms of enzymes is described. This workflow will help in the application of enzymes in technical processes by providing crucial parameters needed to plan, model and implement biocatalytic processes more efficiently. These parameters are homogeneity of the enzyme sample (HES), kinetic and thermodynamic parameters of enzyme kinetics and binding of reactants to enzymes. The techniques used to measure ...

Because enzyme activity depends very much on the reaction conditions, it is crucial to report all these metadata (see for example the STRENDA Guidelines:https://www.beilstein-strenda-db.org/strenda/public/guidelines.xhtml).

Another challenge in experiments to determine enzyme reaction parameters is the choice of suitable substrate concentrations to enable optimal kinetic fits and the informed choice of a kinetic model.

A Jupyter notebook is given to assist in the choice of substrate concentrations ...

This study explores how to design an initial rate experiment. It starts with a "zero-round" experiment, which is used to design a "first-round" experiment, which then leads to the design of a "gold-round" experiment.

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 ...