| CINF | Monday, 27 March 2006 | ||
9:00 AM-11:30 AM Georgia World Congress Center -- B302, Oral | |||
DeNovo Design and Synthetic Accessibility | |||
| Organizer: | Johann Gasteiger | ||
| 9:00 AM | 26 | Structure and reaction based evaluation of synthetic accessibility Johann Gasteiger, Thomas Seidel, Krisztina Boda, Achim Herwig, Oliver Sacher | |
| 9:30 AM | 27 | Algorithms and cancer drugs: In silico design of S100B ligands to block p53 binding John L. Whitlow, Yumin Li | |
| 10:00 AM | 28 | Closing the loop: From high-throughput screening to synthesis of novel protein displacers N. Sukumar, Curt M. Breneman, Steven M. Cramer, James A. Moore, Kristin P. Bennett, Mark J. Embrechts, Min Li, Jia Liu, Long Han | |
| 10:30 AM | 29 | DeNovo design tools for the generation of synthetically accessible ligands A. Peter Johnson, Krisztina Boda, Shane Weaver, Aniko Valko, Vilmos Valko | |
| 11:00 AM | 30 | FlexNovo: Structure-based searching in large fragment spaces Jörg Degen, Matthias Rarey | |
DeNovo Design and Synthetic Accessibility -- Next Session
Symposium Grid -- Division of Chemical Information -- Session Listing
Symposium Grid -- Drug Discovery -- Session Listing
The 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006