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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.

SUBMITTER: Xu Q 

PROVIDER: S-EPMC2530918 | biostudies-literature | 2006 May

REPOSITORIES: biostudies-literature

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The importance of dynamics in substrate-assisted catalysis and specificity.

Xu Qin Q   Guo Haobo H   Wlodawer Alexander A   Guo Hong H  

Journal of the American Chemical Society 20060501 18


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. ...[more]

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