Table of contentsPowerPoint Presentation
Outline of the Talk
Magnet: Likeable Features Cartoon
Finding Features in Apo-Structures: Grid Contours in P38
Comparing Grid Contours With Co-Crystalized Inhibitor
Magnet Prototype Developed at Chiron: SPL
Magnet Applications
Magnet: Selecting Feature Profiles
Thrombin Virtual Screening Results -continued
New Incarnation of Magnet from Metaphorics: SEA
Features Available in New Magnet
Combining Tests for ASA and VDW Contact in Shallow Sites
Same 2 Examples, Rotated
Three Ways to Measure Pocket Occupancy
Pocket Occupancy: SEA examples 1&2
Pocket Occupancy: SEA example 3
Current Magnet Workflow
Optimized Protocol for Virtual Screening
Applying New Protocol to Kinase Inhibitors: Pilot Study
Conclusions
Acknowledgements
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