| COMP | Monday, August 20, 2007 | ||
1:00 PM-4:15 PM BCEC -- 161, Oral | |||
Drug Discovery | |||
| Virtual Screening | |||
| Sponsored by: | COMP | ||
| Organizer: | Irache Visiers | ||
| Presiding: | Lee Herman | ||
| 1:00 PM | 157 | A novel, efficient virtual screening algorithm using 3-D chemical feature pattern recognition Gerhard Wolber, Fabian Bendix, Johannes Kirchmair, Thierry Langer | |
| 1:20 PM | 158 | Automated combinatorial alignment for 3-D similarity searching James H. Nettles, Jeremy L. Jenkins, Zhan Deng, Andreas Bender, John W. Davies, Meir Glick | |
| 1:40 PM | 159 | Distributed docking: An improved structure-based virtual screening combined with ligand-centric shape matching Sukjoon Yoon, Huisun Lee, Jiwon Choi, YoonAe Ko | |
| 2:00 PM | 160 | Electrostatic similarity as an orthogonal approach to atom-based methods Paul Hawkins | |
| 2:20 PM | Intermission | ||
| 2:35 PM | 161 | Improving scoring for virtual screening of fragment-sized molecules B. Woody Sherman | |
| 2:55 PM | 162 | Strategies for docking “fragments” and lead-like molecules Diane Joseph-McCarthy, David C. Thompson, Jaison Jacob, Desiree Tsao, Christine Humblet | |
| 3:15 PM | 163 | FlexX-Screen: Interactive virtual screening Holger Claußen | |
| 3:35 PM | 164 | Maximum common binding modes: A novel consensus scoring concept using multiple ligand information Steffen Renner, Swetlana Derksen, Sebastian Radestock, Tanja Weil | |
| 3:55 PM | 165 | Screening very large virtual libraries using structure-based docking B. Woody Sherman, Chris Higgs, Mee Shelley | |
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Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007