High-throughput and Ensemble-based Screening for Drug Discovery

High-throughput and Ensemble-based Screening for Drug Discovery

RM 1,500.00

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.