COMPUTER-SIMULATION OF SOLVENT STRUCTURE AROUND BIOLOGICAL MACROMOLECULES

被引：145

作者：

HAGLER, AT

MOULT, J

机构：

[1] Chemical Physics Department, Weizmann Institute of Science, Rehovot

来源：

NATURE | 1978年 / 272卷 / 5650期

关键词：

D O I：

10.1038/272222a0

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The structure and energetics of the solvent, both ordered and disordered, in a small peptide crystal and in the triclinic lysozyme crystal have been simulated using the Monte Carlo method. The results are in good agreement with the experimental data and provide insight into the role of solvent structure around biological macromolecules in solution. © 1978 Nature Publishing Group.

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页码：222 / 226

页数：5

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