COMPMonday, August 23, 2004

9:00 AM-12:20 PM Pennsylvania Convention Center -- 109A, Oral
Docking and Scoring
Docking Programs
Organizers:Georgia McGaughey
Greg Warren
Organizer, Presiding:Neysa Nevins
9:00 AM Introductory Remarks
9:05 AM FlexX-Docking: Past, present and planned technological advancements
Christian Lemmen, Sally Ann Hindle, Marcus Gastreich, Ingo Dramburg, Holger Claußen
9:35 AM Importance of accurate docking for potency prediction
Colin McMartin
10:05 AM Recent advances in AutoDock: Search, representation and scoring
Garrett M. Morris, Ruth Huey, William Lindstrom, Chenglong Li, Yong Zhao, William E. Hart, Richard Belew, Michel F. Sanner, David S. Goodsell, Arthur J. Olson
10:35 AM Intermission
10:45 AM Model systems for docking
Brian Shoichet
11:15 AM Enhanced ligand docking and scoring with LigandFit
C. M. Venkatachalam, Jeff Jiang, André Krammer, Marvin Waldman
11:45 AM Ehits: Exhaustive flexible ligand docking with customizable scoring function tailored to protein families
Zsolt Zsoldos
12:15 PM Concluding Remarks

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

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