Chemical Physics Seminar
Noyes 147 (J. Holmes Sturdivant Lecture Hall)
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.
For more information, please contact Priscilla Boon by phone at 6524 or by email at [email protected].
Event Series
Chemical Physics Seminar Series