CINFWednesday, March 25, 2009

2:00 PM-4:40 PM Salt Palace Convention Center -- 254 A, Oral
Adaptive Scoring Functions
Organizers:Dimitris K. Agrafiotis
Eric J. Martin
2:00 PMIntroductory Remarks
2:05 PMAdaptive scoring for comparing ligand binding sites and predicting binding modes and affinities
Leslie A. Kuhn, Matthew E. Tonero, Jeffrey R. Van Voorst, Mária I. Závodszky
2:40 PMAvoiding pitfalls in molecular docking
Sally Ann Hindle, Carsten Detering, Marcus Gastreich, Holger Claußen
3:15 PMIntermission
3:30 PMDesigning drugs against multiple parameters: Scoring functions for multiparameter ligand based de novo design
Brian B. Masek, Karl M. Smith, Stephan C. Nagy, James R. Damewood, Charles L. Lerman
4:05 PMScoring synthetic feasibility: A very different problem
A. Peter Johnson, Krisztina Boda, Glenn J. Myatt, J. Christian Baber

Previous Session -- Adaptive Scoring Functions

Symposium Grid -- Division of Chemical Information -- Session Listing

The 237th ACS National Meeting, Salt Lake City, UT, March 22-26, 2009