PHYSWednesday, March 28, 2007

8:20 AM-11:40 AM McCormick Place South -- Room S402A, Level 4, Oral
Measures of Accuracy and Reliability in Molecular Simulation
Protein Dynamics, Solvation, and Association
Organizers:Richard A. Friesner
Thomas E. Cheatham III
Presiding:Adrian E. Roitberg
8:20 AMMolecular excited state electron transfer dynamics in the condensed phase
Peter J. Rossky
9:00 AMBeyond force fields: Sampling and folding with QM and QM/MM hamiltonians
Gustavo de M. Seabra, Ross C Walker, Adrian E. Roitberg
Paper Withdrawn
10:00 AMProtein dynamics and solvation from molecular simulations: Comparison to time-resolved and high-pressure X-ray crystallography
Gerhard Hummer
10:40 AMBiomolecular solvation: From molecular to continuum models
Feng Dong, Jason A Wagoner, Nathan A Baker
11:20 AMAlternative binding modes in Orf2 catalyzed prenylation: Identification and validation
Guanglei Cui, Xue Li, Kenneth M. Merz Jr.

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