Molecular dynamics applied to X-ray structure refinement

被引：53

作者：

Brunger, AT

Adams, PD

机构：

[1] Stanford Univ, Howard Hughes Med Inst, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA

[2] Stanford Univ, Howard Hughes Med Inst, Dept Neurol, Stanford, CA 94305 USA

[3] Stanford Univ, Howard Hughes Med Inst, Dept Neurol Sci, Stanford, CA 94305 USA

[4] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA

[5] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA

来源：

ACCOUNTS OF CHEMICAL RESEARCH | 2002年 / 35卷 / 06期

关键词：

D O I：

10.1021/ar010034r

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Simulated annealing, in the form of temperature-controlled molecular dynamics, has been successfully applied to macromolecular X-ray structure optimization. The theory and practice of the method are reviewed, and some recent improvements are described.

引用

页码：404 / 412

页数：9

共 67 条

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