- Introduction on computer-aided drug discovery
- Development of compound library and compound optimization
- High-throughput virtual screening I
- High-throughput virtual screening II
- Ranking, interaction analysis and selection of potential hits
- Connecting protein dynamics to ensemble conformations I
- Connecting protein dynamics to ensemble conformations II
- Clustering analysis and trajectory extraction.
Who should attend: Advanced course for those who already understands the fundamentals in docking and molecular dynamics simulation.