PHYSThursday, 14 September 2006

8:00 AM-12:00 PM Grand Hyatt San Francisco -- San Miguel, Oral
Cyber Science, Chemistry
Cyber Science - Biological and Environmental
Organizer:Mark S. Gordon
Organizer, Presiding:Teresa Head-Gordon
8:00 AMApplying next generation force fields to protein folding and ligand binding with Folding@Home
Vijay S. Pande
8:40 AMDevelopment of new multi-scale methods for examining macromolecular systems
Bernard R. Brooks, Wenjun Zheng
9:20 AMProtein-ligand databases in the lab and classroom
Heather A. Carlson
10:00 AMIntermission
10:20 AMLocal and canonical resolution-of-the-identity second-order Moller-Plesset perturbation theory: Application to alanine tetrapeptide conformational energies
Robert A. DiStasio Jr., Ryan P. Steele, Yousung Jung, Young M. Rhee, Yihan Shao, Martin Head-Gordon
10:40 AMChallenges of atmospheric chemistry and the promise of cyberinfrastructure
Joseph S. Francisco
11:20 AMParallel tempering Monte Carlo simulations of H-bonded clusters
Kenneth D. Jordan

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The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006