MEDITuesday, August 18, 2009

2:00 PM-4:30 PM Walter E. Washington Convention Center -- 202A, Oral
Experimental and Theoretical Progress in Unraveling the Detailed Energetics of Drug-Receptor Binding
Organizer:David G Hangauer
2:00 PMCoupling theory and experiment to address the docking problem
Brian Schoichet
2:30 PMUnderstanding and predicting protein-ligand binding affinities by combining empirical scoring models with molecular dynamics simulations
Richard A. Friesner
3:00 PMThermodynamic guidelines for binding affinity optimization
Ernesto Freire
3:30 PMUnraveling the fundamental forces controlling drug-receptor binding affinity with in-depth combined experimental-theoretical approach
David G. Hangauer, Gerhard Klebe, Marek Freindorf, Michael Smolinski, Laveena Muley, Menshawy Mohamed, Mohamed Zayed, Maan Khayat, Nader Nasief, Christof Wegscheid-Gerlach, Bernhard Baum, Adam Biela, Jing Kong
4:00 PMEnzyme dynamics in response to drug binding from NMR relaxation
Andrew L Lee, Randall V. Mauldin, Mary J. Carroll

Symposium Grid -- Division of Medicinal Chemistry -- Session Listing

The 238th ACS National Meeting, Washington, DC, August 16-20, 2009