Tuesday, 24 May 2005: 9:10 AM-12:05 PM

Room 217 (Science & Engineering Resource Center)

Computers in Chemistry (COMP)

Molecular Modeling Throughout the Drug Discovery Process I

Organizers:Wendy D. Cornell
Prabha Karnachi
Presider:Wendy D. Cornell
9:10 AM Introductory Remarks
9:15 AM Protein Ensemble Docking: A Robust, General Strategy for Greatly Enhanced Lead Docking
Daniel L. Cheney, Luciano Mueller
9:55 AM Critical Assessment of Docking Programs and Scoring Functions
Greg Warren
10:35 AM Intermission
10:45 AM Rapid and Accurate Protein Side-Chain Prediction
Michael Bower
11:25 AM An Ab Initio Method for Predicting the Stereochemistry of Drug Intermediates Using NMR
Keith W. Wiitala, Christopher J. Cramer, Thomas R. Hoye

Back to The 37th Middle Atlantic Regional Meeting (May 22-25, 2005)