| COMP | Tuesday, August 21, 2007 | ||
1:00 PM-4:15 PM BCEC -- 161, Oral | |||
Drug Discovery | |||
| Virtual Screening | |||
| Organizer: | Irache Visiers | ||
| Presiding: | Diane Joseph-McCarthy | ||
| 1:00 PM | 234 | FITTED 2.0: A program for flexible protein-flexible ligand docking Nicolas Moitessier, Christopher R. Corbeil, Pablo Englebienne | |
| 1:20 PM | 235 | DOVIS: A high performance computing tool for virtual screening using AutoDock Xiaohui Jiang, Kamal Kumar, Anders Wallqvist, Jaques Reifman | |
| 1:40 PM | 236 | Finding the best protocol for enzyme activity modeling Scott A. Wildman, Robert V. Stanton | |
| 2:00 PM | 237 | Can we improve the structure-based virtual screen hit rate by proposing limited number of VS hits? Suo-Bao Rong, John van Drie | |
| 2:20 PM | 238 | Identification of weak leads with virtual screening Natasja Brooijmans, Christine Humblet | |
| 2:40 PM | Intermission | ||
| 2:55 PM | 239 | Surflex-dock: Effects of protomol generation and fragment matching on docking results Essam Metwally, Jennifer K Shepphird | |
| 3:15 PM | 240 | The Shiraz Challenge: The unlovable in search of the undruggable Kim Branson, Gregory L. Warren | |
| 3:35 PM | 241 | TrixX-BMI: Fast virtual screening using compressed Bitmap Index Technology for efficient prefiltering of Compound Libraries Jochen Schlosser, Matthias Rarey | |
| 3:55 PM | 242 | Understanding false positives in reporter gene assays: In silico chemogenomics approaches to prioritize cell-based HTS data Meir Glick | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007