Description

• 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.