High-throughput and Ensemble-based Screening for Drug Discovery (Academician)

$150.00

Category:

Description

Topics Covered

  • Introduction on computer-aided drug discovery
  • Development of compound library and compound optimisation
  • 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.