Session: Computational Exploration of Energy Landscapes: Challenges and Solutions


PHYS		Thursday, 1 September 2005

8:20 AM-11:40 AM Washington DC Convention Center -- 143A, Oral
Computational Exploration of Energy Landscapes: Challenges and Solutions
Biological Systems, Combustion, and Radicals
Organizers:	C. David Sherrill Anna I. Krylov
Presiding:	Spiridoula Matsika
8:20 AM	380	Lesions in DNA subunits: Radicals derived from the guanine-cytosine base pair Partha Pratim Bera, Henry F Schaefer III
9:00 AM	381	Linear and non-linear spectroscopy of biological systems: Theory and experiment Ian R. Gould
9:40 AM	382	Accurate a priori kinetics for radical-radical reactions Stephen J. Klippenstein, Lawrence B. Harding
10:20 AM		Intermission
10:40 AM	383	QM/MM potential energy surfaces for modeling mechanisms of enzymatic reactions Alexander Nemukhin, Bella Grigorenko, Igor A. Topol, Stanley K. Burt
11:20 AM	384	Energy landscapes of multi-resolution protein models: Implications for the detection and generation of near-native structures Michael S. Lee, Mark Olson

Previous Session -- Computational Exploration of Energy Landscapes: Challenges and Solutions -- Next Session