Simulating enzyme reactions: Challenges and perspectives

被引：152

作者：

Field, MJ ^{[1
]}

机构：

[1] Inst Biol Struct, Lab Dynam Mol, F-38027 Grenoble 01, France

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2002年 / 23卷 / 01期

关键词：

enzymes; reactions; catalysis; molecular simulations;

D O I：

10.1002/jcc.1156

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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. (C) 2002 John Wiley & Sons, Inc.

引用

页码：48 / 58

页数：11

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