Albany 2015:Book of Abstracts
June 9-13 2015
©Adenine Press (2012)
Statistical fluctuations, Dynamics, and De Novo Enzyme Catalysis
My talk will describe our theoretical work in quantifying protein statistical and dynamical motions that correlate with enzyme performance of de novo enzymes and the possibility of incorporating fluctuations and dynamics into the early stages of enzyme design.
This work was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231.
A. Bhowmick and T. Head-Gordon (2015). A Monte Carlo method for generating side chain structural ensembles. Structure 23(1):44-55.
Departments of Chemistry