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Brownian Dynamics Simulations of Biological Molecules.
Trends in Chemistry ( IF 14.0 ) Pub Date : 2019-08-28 , DOI: 10.1016/j.trechm.2019.07.008
Gary A Huber 1, 2 , J Andrew McCammon 1, 2
Affiliation  

Brownian dynamics (BD) is a technique for carrying out computer simulations of physical systems that are driven by thermal fluctuations. Biological systems at the macromolecular and cellular level, while falling in the gap between well-established atomic-level models and continuum models, are especially suitable for such simulations. We present a brief history, examples of important biological processes that are driven by thermal motion, and those that have been profitably studied by BD. We also present some of the challenges facing developers of algorithms and software, especially in the attempt to simulate larger systems more accurately and for longer times.



中文翻译:

生物分子的布朗动力学模拟。

布朗动力学(BD)是一种用于对由热波动驱动的物理系统进行计算机模拟的技术。在大分子和细胞水平上的生物系统,虽然落入已建立的原子级模型和连续谱模型之间的空白,但特别适合于这种模拟。我们将简要介绍一下历史,热运动驱动的重要生物过程以及BD进行有益研究的过程。我们还提出了算法和软件开发人员所面临的一些挑战,特别是在尝试更精确,更长时间地仿真大型系统方面。

更新日期:2019-08-28
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