Theoretical Study of Free Energy in Docking Stability of Azurin(II)‐Cytochrome c551(II) Complex System

IF 0.5 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
Complex Systems Pub Date : 2008-02-27 DOI:10.1063/1.2897903
Tetsunori Yamamoto, K. Nishikawa, Ayumu Sugiyama, A. Purqon, T. Mizukami, H. Shimahara, H. Nagao, K. Nishikawa
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引用次数: 0

Abstract

The docking structure of the Azurin‐Cytochrome C551 is presented. We investigate a complex system of Azurin(II)‐Cytochrome C551(II) by using molecular dynamics simulation. We estimate some physical properties, such as root‐mean‐square deviation (RMSD), binding energy between Azurin and Cytochrome C551, distance between Azurin(II) and Cytochrome C551(II) through center of mass and each active site. We also discuss docking stability in relation to the configuration by free energy between Azurin(II)‐Cytochrome C551(II) and Azurin(I)‐Cytochrome C551(III).
蔚蓝蛋白(II) -细胞色素c551(II)配合体系对接稳定性的自由能理论研究
介绍了Azurin -细胞色素C551的对接结构。采用分子动力学模拟的方法研究了一个由Azurin(II) -细胞色素C551(II)组成的复杂体系。我们估计了一些物理性质,如均方根偏差(RMSD)、Azurin和细胞色素C551之间的结合能、Azurin(II)和细胞色素C551(II)通过质心和每个活性位点的距离。我们还通过自由能讨论了Azurin(II)‐细胞色素C551(II)和Azurin(I)‐细胞色素C551(III)之间的对接稳定性与构型的关系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Complex Systems
Complex Systems MATHEMATICS, INTERDISCIPLINARY APPLICATIONS-
CiteScore
1.80
自引率
25.00%
发文量
18
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