| COMP | Monday, August 20, 2007 | ||
1:30 PM-5:10 PM BCEC -- 156A, Oral | |||
Evaluation of Computational Methods: Insights, Philosophies and Recommendations | |||
| Focus on Docking | |||
| Organizers: | Anthony Nicholls Ajay N. Jain | ||
| 1:30 PM | 185 | Can we use docking and scoring for hit optimization? Istvan J. Enyedy, William Egan | |
| 2:05 PM | 186 | RMSD comparisons, enrichment and decoy selection for virtual screening: What can we learn from earlier mistakes? Johannes Kirchmair, Gerhard Wolber, Stojanka Ristic, Kathrin Eder, Patrick Markt, Christian Laggner, Thierry Langer | |
| 2:40 PM | 187 | Protein crystal structures: Are they really as precise or accurate as we think? Gregory L. Warren | |
| 3:15 PM | Intermission | ||
| 3:30 PM | 188 | Diverse, high-quality test set for the validation of protein-ligand native and cross-docking performance Paul N Mortenson | |
| 4:05 PM | 189 | Evaluating docking programs: Keeping the playing field level John W Liebeschuetz | |
| 4:40 PM | 190 | Panel Discussion of Computational Methods Evaluation Martha S Head | |
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Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007