Hierarchical Database Screenings for HIV-1 Reverse Transcr.pptVIP

Hierarchical Database Screenings for HIV-1 Reverse Transcriptase Using a Pharmacophore Model, Rigid Docking, Solvation Docking, and MM-PB/SA Junmei Wang, Xinshan Kang, Irwin D.Kuntz, and Peter A. Kollman Encysive Pharmaceuticals Inc. University of California, San Francisco Presentation by Susan Tang CS 379A Background There are two approaches to identifying drug leads De novo design Aimed to design novel compounds that have electrostatic and hydrophobic properties complementary to target Requires 3D structures of drug targets Database screening Applies filters to identify potential drug