High-throughput and Ensemble-based Screening for Drug Discovery (Student)
$100.00
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.
