QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate

Literature Information

Publication Date 2008-08-05
DOI 10.1039/B810099C
Impact Factor 6.222
Authors

Anna L. Bowman, Ian M. Grant, Adrian J. Mulholland


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Abstract

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations indicate that the reaction of native HEWL with its natural substrate involves a covalent intermediate, in contrast to the ‘textbook’ mechanism for this seminal enzyme.

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