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正常模式分析在生物分子复合物动力学建模中的作用与局限性

Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes.

作者信息

Ma Jianpeng

机构信息

Department of Biochemistry and Molecular Biology, Baylor College of Medicine, One Baylor Plaza, Houston, Texas 77030, USA.

出版信息

Structure. 2005 Mar;13(3):373-80. doi: 10.1016/j.str.2005.02.002.

DOI:10.1016/j.str.2005.02.002
PMID:15766538
Abstract

Various types of large-amplitude molecular deformation are ubiquitously involved in the functions of biological macromolecules, especially supramolecular complexes. They can be very effectively analyzed by normal mode analysis with well-established procedures. However, despite its enormous success in numerous applications, certain issues related to the applications of normal mode analysis require further discussion. In this review, the author addresses some common issues so as to raise the awareness of the usefulness and limitations of the method in the general community of structural biology.

摘要

各种类型的大幅度分子变形普遍参与生物大分子的功能,尤其是超分子复合物。通过成熟的程序进行简正模式分析,可以非常有效地对它们进行分析。然而,尽管简正模式分析在众多应用中取得了巨大成功,但与该方法应用相关的某些问题仍需要进一步讨论。在这篇综述中,作者探讨了一些常见问题,以提高结构生物学界对该方法的实用性和局限性的认识。

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