COMPSunday, August 22, 2004

9:00 AM-12:20 PM Pennsylvania Convention Center -- 109B, Oral
Docking and Scoring
Docking Programs
Organizers:Gregory L. Warren
Neysa Nevins
Organizer, Presiding:Georgia McGaughey
9:00 AM Introductory Remarks
9:05 AM Docking with water and post-docking analysis: New developments to the GOLD docking program
Jason C. Cole
9:35 AM Identification of novel p38 MAP kinase inhibitors using new Glide docking and scoring algorithms
Thomas A. Halgren, Leah L. Frye, Jeremy R. Greenwood, Robert B. Murphy, Richard A. Friesner
10:05 AM Docking and scoring: Improvements in screening enrichment and docking accuracy
Ajay Jain
10:35 AM Intermission
10:45 AM Modeling correlated protein main-chain and side-chain motions in ligand docking and screening
Leslie A. Kuhn, Maria I. Zavodszky, Sameer Arora, Ming Lei, Michael F. Thorpe
11:15 AM Docking conformationally flexible molecules with MVP
Millard H. Lambert
11:45 AM Scoring functions: What works and what doesn't
Mark McGann
12:15 PM Concluding Remarks

Docking and Scoring -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004