FAIRDOMHub

4 items tagged with 'molecular modeling'.

People (4)

Projects: Kinetics on the move - Workshop 2016, COVID-19 Disease Map, NMTrypI - New Medicines for Trypanosomatidic Infections, CoVIDD - Coronavirus interactions in drug discovery - optimization and implementation

Institutions: Kinetics on the move Workshop at HITS, Heidelberg Institute for Theoretical Studies (HITS gGmbH), University of Eastern Finland (UEF)

https://orcid.org/0000-0002-2801-8902

Expertise: Computer-aided drug design, computational structural biology, Data Management, molecular modeling

Tools: bash, Databases, Machine Learning, Molecular docking and simulation, Python

Gudrun Gygli

Polyglot European Scientist. I thrive working in interdisciplinary environments combining the study of enzyme reactions and mechanisms with bioinformatics, molecular modelling, automated data analysis and data stewardship.

Dragos Horvath

Projects: Kinetics on the move - Workshop 2016

Institutions: Kinetics on the move Workshop at HITS

Expertise: chemoinformatics, drug design, molecular modeling, Scientific Computing

Rebecca Wade

Projects: SysMO-LAB, NMTrypI - New Medicines for Trypanosomatidic Infections

Institutions: Heidelberg Institute for Theoretical Studies (HITS gGmbH)

Expertise: computational structural biology, protein interactions, molecular modeling, molecular simulation

Tools: molecular modeling and simulation, PIPSA, SYCAMORE

Group Leader, Molecular and Cellular Modeling Group, EML Research, Heidelberg