Educators:
Dr. Christiane Ehrt (BioData)
Date:
22.09.2026
Location:
40th German Conference on Bioinformatics, Saarbrücken, Germany
(#GCB2026, https://gcb2026.de/gcb2026_workshops.html#WS05)
Contents:
Introduction to protein structure analyses with two sessions: (1) selecting and preparing binding sites for structure-based design, (2) structure-based design
Learning goals:
At the end of the workshop, participants will be able to select structures based on the model quality in the binding site, visualize protein-ligand complexes and their non-covalent interactions, predict binding sites for protein structures, prepare ensembles of binding sites to consider protein flexibility, prepare and conduct structure-based predictions
Prerequisites:
Basic knowledge on protein structures, binding sites, and their interactions with small molecules
Keywords:
Structure-based drug design, protein structure analysis, binding site analysis and prediction, protein-ligand interactions
Tools:
https://proteins.plus - ProteinsPlus web server tools for structure-based design (EDIAscorer, PoseView/PoseEdit, DoGSite, SIENA, Protoss, JAMDA)
Contact: