[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]。

Biofizika Pub Date : 2015-03-01
S S Khruschev, A M Abaturova, A N Diakonova, V A Fedorov, D M Ustinin, I B Kovalenko, G Yu Riznichenko, A B Rubin
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引用次数: 0

摘要

综述了布朗动力学在蛋白质-蛋白质瞬态相互作用模拟中的应用。综述了布朗动力学方法的理论基础、具体实现方法、优缺点。对布朗动力学模拟技术的发展前景进行了展望。特别注意布朗动力学轨迹的分析。第二部分着重介绍了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(质体青素、细胞色素c6和铁氧还蛋白)与其反应伙伴(细胞色素b6f复合物、光系统I、铁氧还蛋白:nadp还原酶和氢化酶)的相互作用。
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[Brownian dynamics simulations of protein-protein interactions in photosynthetic electron transport chain].

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.

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