Quantum mechanical calculations on biological systems

被引：103

作者：

Friesner, RA ^{[1
]}

Beachy, MD ^{[1
]}

机构：

[1] Columbia Univ, Dept Chem, New York, NY 10027 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 1998年 / 8卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(98)80048-1

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：

Improvements in quantum chemical methods have led to increased applications to biological problems, including the development of potential energy functions for molecular mechanics and modeling of the reactive chemistry in enzyme active sites, with particularly interesting progress being made for metal-containing systems. An important direction is the development and application of hybrid quantum chemical-molecular mechanics methods.

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收藏

页码：257 / 262

页数：6

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