| Thursday, 17 May 2007: 1:45 PM-4:55 PM | |||
| 207 (Pfahler Hall) | |||
| CADD: Challenges in Target Family Receptor Modeling | |||
| This session will explore the difficulties and successes in modeling receptor families such as GPCRs and Nuclear Hormone Receptors for drug design. Talks will range from homology modeling and ligand-based design to structure-based studies. Speakers will be encouraged to focus on achieving selectivity within a target family. | |||
| Sponsor: | Schr�dinger, ACS Division of Computers in Chemistry (COMP) | ||
| Organizer: | Dora Schnur | ||
| Presider: | Dora Schnur | ||
| 1:45 PM | Welcoming Remarks | ||
| 1:50 PM | 308 | Predicting the activity of P2Y1 antagonists: docking, QSAR, or consensus models? Stefano Costanzi, Irina G. Irina G. Tikhonova, Kenneth Jacobson, T. Kendall Harden | |
| 2:30 PM | 309 | Refining active sites of GPCR models through balloon expansion Roy Kimura | |
| 2:50 PM | 310 | Modeling G Protein-Coupled Receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models Brajesh K. Rai, Gregory J. Tawa, Alan H. Katz, Christine Humblet | |
| 3:10 PM | Break | ||
| 3:30 PM | 311 | Network Analysis of Helical Membrane Protein Structures and Its Application in GPCR Modeling Zhijun Li, Vagmita Pabuwal | |
| 3:50 PM | 312 | Balancing structure and serendipity: designing large kinase targeted libraries David J. Diller | |
| 4:10 PM | 313 | Target Identification and Target-Specific Drug Discovery Using Protein Family-Specific Fingerprints Deepak Bandyopadhyay | |
| 4:30 PM | 314 | A staged multi-objective optimization approach to finding selective pharmacophores Robert D. Clark | |
Back to The Middle Atlantic Regional Meeting (May 16 - 18, 2007)