Computational enzymology

被引：12

作者：

Cunningham, MA ^{[1
]}

Bash, PA ^{[1
]}

机构：

[1] Argonne Natl Lab, Ctr Mechanist Biol & Biotechnol, Argonne, IL 60439 USA

来源：

BIOCHIMIE | 1997年 / 79卷 / 11期

关键词：

numerical simulation; reaction mechanism; QM/MM method;

D O I：

10.1016/S0300-9084(97)83525-0

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Numerical simulations of enzyme reaction mechanisms are beginning to provide quantitative as well as qualitative insights. Methods based on a hybrid quantum mechanical/molecular mechanical technique permit the natural inclusion of protein solvation effects. Coupled with modern experimental techniques, the numerical simulations are providing details at the atomic level about how enzyme structure influences its function.

引用

页码：687 / 689

页数：3

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