COMPMonday, 29 August 2005

8:40 AM-12:00 PM Washington DC Convention Center -- 151A, Oral
Structure Based Design
Predicting Binding Modes and Affinities
Organizer:Shashidhar N. Rao
Organizer, Presiding:Akbar Nayeem
8:40 AMIntroductory Remarks
8:45 AMConsensus pose prediction
Mark McGann
9:15 AMPrediction of binding affinities for structure-based drug design
Scott Brown, Steven W. Muchmore
9:45 AMImproved protein mapping for fragment based drug design
Sandor Vajda, Michael Silberstein, Spencer C. Thiel, David Lancia
10:15 AMIntermission
10:30 AMProtein ensemble docking: An effective strategy for enhanced lead docking
Luciano Mueller, Daniel L. Cheney
11:00 AMInduced-fit docking to account for receptor flexibility
B. Woody Sherman, Tyler Day, Matthew P. Jacobson, Richard A. Friesner, Ramy Farid
11:30 AMPanel Discussion. S. Rao, Moderator

Structure Based Design -- Next Session

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

Symposium Grid -- Biotech -- Session Listing

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005