Tuesday, February 19, 2013
4:00 PM -
5:00 PM
Noyes 147 (J. Holmes Sturdivant Lecture Hall)
Chemical Physics Seminar
Series: Chemical Physics Seminar Series
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.
Event Sponsors:
For more information, please contact Priscilla Boon by phone at 6524 or by email at [email protected].