✦ LIBER ✦

Simulating enzyme reactions: Challenges and perspectives

✍ Scribed by Martin J. Field

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 168 KB
Volume: 23
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.1156

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✦ Synopsis

Abstract

Elucidating how enzymes enhance the rates of the reactions that they catalyze is a major goal of contemporary biochemistry, and it is an area in which computational and theoretical techniques can make a major contribution. This article outlines some of the processes that need to be investigated if enzyme catalysis is to be understood, reviews the current state‐of‐the‐art in enzyme simulation work, and highlights challenges for the future. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 48–58, 2002

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