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[光合电子传递链中蛋白质-蛋白质相互作用的布朗动力学模拟]

[Brownian dynamics simulations of protein-protein interactions in photosynthetic electron transport chain].

作者信息

Khruschev S S, Abaturova A M, Diakonova A N, Fedorov V A, Ustinin D M, Kovalenko I B, Riznichenko G Yu, Rubin A B

出版信息

Biofizika. 2015 Mar-Apr;60(2):270-92.

Abstract

The application of Brownian dynamics for simulation of transient protein-protein interactions is reviewed. The review focuses on theoretical basics of Brownian dynamics method, its particular implementations, advantages and drawbacks of the method. The outlook for future development of Brownian dynamics-based simulation techniques is discussed. Special attention is given to analysis of Brownian dynamics trajectories. The second part of the review is dedicated to the role of Brownian dynamics simulations in studying photosynthetic electron transport. Interactions of mobile electron carriers (plastocyanin, cytochrome c6, and ferredoxin) with their reaction partners (cytochrome b6f complex, photosystem I, ferredoxin:NADP-reductase, and hydrogenase) are considered.

摘要

综述了布朗动力学在瞬态蛋白质-蛋白质相互作用模拟中的应用。该综述聚焦于布朗动力学方法的理论基础、其具体实现方式、该方法的优缺点。讨论了基于布朗动力学的模拟技术未来发展的前景。特别关注了布朗动力学轨迹的分析。综述的第二部分致力于布朗动力学模拟在光合电子传递研究中的作用。考虑了移动电子载体(质体蓝素、细胞色素c6和铁氧化还原蛋白)与其反应伙伴(细胞色素b6f复合物、光系统I、铁氧化还原蛋白:NADP还原酶和氢化酶)之间的相互作用。

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