SwissDrugDesign a free web based environment for docking, virtual screening, target prediction and
Recording of September 2017 AMG Global Health Compound Design webinar presented by Antoine Daina and Vincent Zoete from the Swiss Institute of Bioinformatics. Their second visit covered Ligand-based design, target identification, SwissDock and Swiss Bioisostere
Timeline:
Start - 1:09 Introduction - Caroline Low, AMG
1:10 - 21:10 Introduction to SwissDrugDesign Project - Vincent Zoete, SIB
2:34 Structure based docking
6:59 Ligand-based CADD
9:15 Swiss Similarity for virtual screening
14:36 Swiss Target Prediction
19:53 Integrated Tools
21:10 - End Live demonstration from Antoine Daina, SIB
An exercise with a fictitious phenotypic screening hit
21:10 Finding other compounds to test using Swiss Similarity with fingerprints
32:22 and by 3D similarity
36:00 Target prediction for phenotypic hits
40:00 Extension to malaria targets using protein homology
42:00 Using SwissDock to visualise interaction with protein
52:00 Swiss Bioisoster - what could I make next,
1:01:00 - End Q&A session
