| Tuesday, March 27, 2007 | |||
12:00 PM-2:30 PM McCormick Place -- room E262 | |||
Morphological Similarity for Ligand-Based Modeling of the Biological Targets of Known Drugs | |||
| Sponsored by: | EXPOSITIONWORKSHOP | ||
| Sponsor: Tripos, Inc., Booths 1140, 1142. instructor: Ajay Jain, Ph.D., University of California San Francisco Cancer Research Institute. 12:00 - 2:30 PM. Join us for lunch and learn more about Surflex-Sim, a fully automatic flexible molecular alignment algorithm providing a significant leap forward in rapidly optimizing the pose of a query molecule to maximize three-dimensional similarity to an object molecule reflecting the molecules’ biological similarity. The method has been demonstrated to yield robust results when applied to a significant fraction of the space of known drugs. Surflex-Sim has been successfully deployed for systematic modeling of therapeutically relevant biological targets based solely on their known ligands making it possible to rationalize off-target effects of drugs and to predict them. | |||
Exposition Workshop -- Session Listing
The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007