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