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Monday, May 07, 2012
11:00 AM - 12:00 PM
CNLS Conference Room (TA-3, Bldg 1690)


Sampling conformational space of biomolecules using Blade Runner technologies. A trip through the development of replica exchange methods

Adrian Roitberg
University of Florida, Gainesville

I will provide an in depth trip through the different styles of replica exchange methods (remember the replicants in Blade Runner?) for conformational sampling. I will go through the basic theory, ideas on why it works, different flavors of the techniques, and how this methods have a natural home in massive supercomputers as we move to the exascale regime.

Host: Sergei Tretiak, T-1: PHYSICS AND CHEMISTRY OF MATERIALS, 667-8351