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Table of contents

PowerPoint 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