| COMP | Monday, August 20, 2007 | ||
9:00 AM-12:25 PM BCEC -- 156A, Oral | |||
Evaluation of Computational Methods: Insights, Philosophies and Recommendations | |||
| Focus on Docking | |||
| Organizers: | Anthony Nicholls Ajay N. Jain | ||
| 9:00 AM | Introductory Remarks | ||
| 9:15 AM | 147 | Methodological performance reporting: To confuse or to enlighten Ajay N. Jain | |
| 9:50 AM | 148 | Benchmarking sets for molecular docking John J Irwin, Niu Huang, Brian Shoichet | |
| 10:25 AM | Intermission | ||
| 10:40 AM | 149 | Comparison of topological, shape, and docking methods in virtual screening Georgia McGaughey, Robert P. Sheridan, Christopher Bayly, J. Chris Culberson, Constantine Kreatsoulas, Stacey Lindsley, Vladimir N. Maiorov, Jean-Francois Truchon, Wendy D. Cornell | |
| 11:15 AM | 150 | Insights into the setup of the GSK docking evaluation Neysa Nevins, Martha S Head | |
| 11:50 AM | 151 | On how (not) to do an evaluation Paul Hawkins | |
Evaluation of Computational Methods: Insights, Philosophies and Recommendations -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007