Tuesday, February 19, 2013
4:00 pm
Noyes 147 (J. Holmes Sturdivant Lecture Hall) – Arthur Amos Noyes Laboratory of Chemical Physics

Chemical Physics Seminar

Connecting Protein Dynamics with Catalytic Function from QM/MM Simulations
Jiali Gao, L. I. Smith Professor of Chemistry, Department of Chemistry and Digital Technology Center, University of Minnesota, Minneapolis


Abstract: Protein dynamics are essential to the catalytic function of enzymes, but their precise role and mechanism by which large-scale protein motions and local dynamic fluctuations are connected to the chemical step are still poorly understood.  In this talk, I will discuss the role of protein conformational dynamics on the catalyzed hydride transfer by wild-type  dihydrofolate reductase (DHFR) and a "dynamics knockout" mutant as expressed in entropy of activation. In addition, I will highlight its implications on the mechanism of OMP decarboxylase, one of the most proficient enzymes that accelerate the reaction rate by more than 20 orders of magnitude.
Contact Priscilla Boon pjboon@caltech.edu at 6524
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