MOLECULAR-DYNAMICS STUDIES OF PROTEINS

被引：29

作者：

VANGUNSTEREN, WF ^{[1
]}

机构：

[1] SWISS FED INST TECHNOL,CH-8092 ZURICH,SWITZERLAND

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 1993年 / 3卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(05)80164-2

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：

Molecular dynamics computer simulation studies of proteins are considered. Standard applications are the calculation of equilibrium properties, binding constants and the use of molecular dynamics simulation in the refinement of protein structure based on NMR or X-ray diffraction data. In addition, simulation of non-equilibrium processes and methodological studies are briefly discussed. Computer simulation is a very useful explorative tool with which to investigate protein structure, dynamics and function, provided it is used with a clear eye to its strengths and limitations.

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页码：277 / 281

页数：5

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