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Albany 2015:Book of Abstracts

Albany 2015
Conversation 19
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.

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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.

References
    A. Bhowmick and T. Head-Gordon (2015). The role of side chain entropy and mutual information for improving the de novo design of a Kemp Eliminase. Submitted.

    A. Bhowmick and T. Head-Gordon (2015). A Monte Carlo method for generating side chain structural ensembles. Structure 23(1):44-55.


Teresa Head-Gordon

Departments of Chemistry
Bioengineering, and Chemical and Biomolecular Engineering
University of California
Berkeley, CA 94720

Ph: (510)-666-2744
thg@berkeley.edu