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)