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Updated: Jul 5, 2026

09:42
Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
The importance of dynamics in substrate-assisted catalysis and specificity
Qin Xu1, Haobo Guo, Alexander Wlodawer
1Department of Biochemistry and Cellular and Molecular Biology, and Center of Excellence for Structural Biology, University of Tennessee, Knoxville, Tennessee 37996, USA.
Journal of the American Chemical Society
|May 4, 2006
Abstract:
The QM/MM MD and free energy simulations show that the dynamics involving a His residue at the P1 site of the substrate may play an important role in substrate-assisted catalysis and specificity for a serine-carboxyl peptidase.
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