A HYBRID DIVIDE-AND-CONQUER DFT/MOLECULAR MECHANICS METHOD TO STUDY ENZYME REACTION-MECHANISMS

被引：0

作者：

PANIGRAHY, S ^{[1
]}

BASH, PA ^{[1
]}

机构：

[1] ARGONNE NATL LAB,CTR MECHANIST BIOL & BIOTECHNOL,ARGONNE,IL 60439

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 209卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：68 / COMP

共 49 条

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[19] The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies
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[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (39) : 27422 - 27431
[20] The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase
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[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2000, 97 (18) : 9937 - 9942

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