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· COMP Symposium Grid · COMP Session Listing |
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| COMP | Thursday, March 17, 2005 | ||
Oral | |||
General Oral - Drug Discovery | |||
| Organizer: | Wendy D. Cornell | ||
| Presiding: | S. Frank Yan | ||
| 307 | Protein ensemble docking: Progress toward an accurate virtual screening protocol Daniel L. Cheney, Luciano Mueller | ||
| 308 | Automating inhibitor discovery with multiple protein structures (MPS) Heather A. Carlson, Michael G. Lerner, Kristin L. Meagher, Kelly L. Damm | ||
| 309 | Improving the quality of virtual ligand screening against homology models Katarzyna Bernacki, Chakrapani Kalyanaraman, Ilya Chorny, Matthew P Jacobson | ||
| 310 | Mining docking space Christian Lemmen, Marcus Gastreich, Holger Claußen | ||
| 311 | Integrating protein sequence and structural information: An in silico method for predicting kinase selectivity Huifen Chen, Eric B. Fauman | ||
| 312 | Uncovering networks within protein structures Birgit Albrecht | ||
| 313 | Exploration of structure-derived protein sequence alignments Nathalie Meurice, Daniel P. Vercauteren, Gerald M Maggiora | ||
| 314 | De novo design of novel and selective T-type calcium channel blockers Daniel L. Cheney, Jon J. Hangeland, Todd J. Friends, Paul C. Levesque | ||
| 315 | The application of workflow technology to the creative, computationally intensive and technically challenging area of library design Ashley George, Jonathan Sheldon | ||
| 316 | Automatic discovery and annotation of organic chemical names in patents James W Cooper, Stephen Boyer, Alex Nevidomsky, Anni R Coden | ||
| 317 | Computational design of mutation-resistant HIV-1 protease inhibitor libraries Sripriya Chellappan, Michael K. Gilson | ||
| 318 | Modeling of GSK-3’s allosteric pocket and validation by fragment-based grand canonical Monte Carlo simulations and docking Suo-Bao Rong, Frank Guarnieri, Jeffery S. Wiseman, Frank P. Hollinger | ||
| 319 | Predicted CCR1 structure and binding modes of CCR1 antagonists Sabine K. Schlyer, Monica Kochanny, Gary Phillips, Sunil Koovakkat, Richard Horuk, Rene Trabanino, Wely B. Floriano, Spencer E. Hall, N. Vaidehi, William A. Goddard III | ||
General Oral - Drug Discovery -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing