| COMP | Monday, 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 AM | Introductory Remarks | ||
| 8:45 AM | 61 | Consensus pose prediction Mark McGann | |
| 9:15 AM | 62 | Prediction of binding affinities for structure-based drug design Scott Brown, Steven W. Muchmore | |
| 9:45 AM | 63 | Improved protein mapping for fragment based drug design Sandor Vajda, Michael Silberstein, Spencer C. Thiel, David Lancia | |
| 10:15 AM | Intermission | ||
| 10:30 AM | 64 | Protein ensemble docking: An effective strategy for enhanced lead docking Luciano Mueller, Daniel L. Cheney | |
| 11:00 AM | 138 | Induced-fit docking to account for receptor flexibility B. Woody Sherman, Tyler Day, Matthew P. Jacobson, Richard A. Friesner, Ramy Farid | |
| 11:30 AM | Panel 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