The Importance of Dynamics in Substrate-Assisted Catalysis and Specificity
- 18 April 2006
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 128 (18) , 5994-5995
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.Keywords
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