Title : The QM/MM molecular dynamics and free energy simulations of the acylation reaction catalyzed by the serine-carboxyl peptidase kumamolisin-As.

Pub. Date : 2007 Mar 27

PMID : 17326662






1 Functional Relationships(s)
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1 It is demonstrated that the nucleophilic attack by the serine residue on the substrate may not be the rate-limiting step for the acylation of the GPH*FF substrate. Serine gephyrin Homo sapiens