COMPMonday, March 26, 2007

2:00 PM-5:00 PM Hyatt Regency McCormick -- 11 A/B, Oral
Rational Drug Design
Organizer:M. Rami Reddy
2:00 PMNew developments in the Glide XP docking and scoring methodology
Richard Friesner
2:30 PMComparative modeling and ligand binding of the dopamine transporter
Jeffry D. Madura, Martin Indarte, Christopher Surratt
3:00 PMAccelerating lead discovery using structure-based paradigm: Genes to LeadsŪ
Kal Ramnarayan
3:30 PMProgress in the development of an electron density enhanced scoring function in assessing ligand-receptor complexes
M. Dominic Ryan, Mark J. Embrechts, Curt M. Breneman
4:00 PMCAESAR: A super fast conformation generation algorithm in Discovery Studio
Jiabo Li, K. Raghavan, Jon Sutter, Amit Kulkarni
4:30 PMGeneralized knowledge-based approach to quickly generating diverse but energetically representative ensembles of ligand conformers
Robert D. Clark, Roman Dorfman, Brian B. Masek

Rational Drug Design -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007