Molecular dynamics simulations of biomolecules

被引：0
作者：
Martin Karplus
J. Andrew McCammon
机构：
[1] Harvard University,Department of Chemistry and Chemical Biology
[2] Laboratoire de Chimie Biophysique,Department of Chemistry and Biochemistry, Department of Pharmacology
[3] ISIS,undefined
[4] Université Louis Pasteur,undefined
[5] Howard Hughes Medical Institute,undefined
[6] University of California at San Diego,undefined
来源：
Nature Structural Biology | 2002年 / 9卷
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摘要：
Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules. The early view of proteins as relatively rigid structures has been replaced by a dynamic model in which the internal motions and resulting conformational changes play an essential role in their function. This review presents a brief description of the origin and early uses of biomolecular simulations. It then outlines some recent studies that illustrate the utility of such simulations and closes with a discussion of their ever-increasing potential for contributing to biology.
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页码：646 / 652
页数：6
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