Educators:
Christiane Ehrt (BioData)
Date:
22.09.2025
Location:
GCB 2025, Düsseldorf, Germany (https://gcb2025.de)
Contents:
Introduction to Structure-Based Design on ProteinsPlus: Selecting and Preparing Binding Sites for Structure-Based Design (EDIA, SIENA, Protoss, MicroMiner), Detecting Potential Off-Targets, Novel Binding Sites and Designing Starting Points for Structure-Based Design (GeoMine, DoGSite3, JAMDA)
Learning goals:
learning to perform protein structure analyses, protein ensemble generation, protein-ligand interaction analysis, molecular docking, binding site comparisons
Prerequisites:
basic knowledge of protein structures and small molecules
Keywords:
structure-based drug design, protein structure analysis, protein-ligand interactions, geometric mining, molecular docking
Tools:
https://proteins.plus - ProteinsPlus web server tools (EDIA, SIENA, Protoss, MicroMiner, GeoMine, DoGSite3, JAMDA)
Contact: