SwissDrugDesign a free web based environment for docking, virtual screening, target prediction and
Автор: Medchem clips
Загружено: 2017-09-20
Просмотров: 7631
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
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