• Düsseldorf

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: 
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