title: The importance of dynamics in substrate-assisted catalysis and specificity.
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.
authors: Department of Biochemistry and Cellular and Molecular Biology, and Center of Excellence for Structural Biology, University of Tennessee, Knoxville, Tennessee 37996, USA.
authors: Qin
authors: Q
authors: Xu
authors: Haobo
authors: H
authors: Guo
authors: Alexander
authors: A
authors: Wlodawer
authors: Hong
authors: H
authors: Guo