Polarizable force field development for lipids and their efficient applications in membrane proteins,Wiley Interdisciplinary Reviews: Computational Molecular Science

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Polarizable force field development for lipids and their efficient applications in membrane proteins
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 16.8 ) Pub Date : 2017-04-26 , DOI: 10.1002/wcms.1312
Huiying Chu ₁ , Liaoran Cao ₁ , Xiangda Peng ₁ , Guohui Li ₁

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Polarizable force fields have been developed due to the intrinsic problem of additive force fields in modeling electrostatic interactions. Because of the capability to accurately describe the behavior of systems with significant changes in their electrostatic environments, polarizable force fields might be a decent tool to study membrane‐related systems, such as lipid bilayers, though not so much progresses have been made. In this overview article we described the developments of a variety of polarizable force fields, including the corresponding theories, benchmark examples, and more specifically we were focused on the applications on lipid membranes. WIREs Comput Mol Sci 2017, 7:e1312. doi: 10.1002/wcms.1312

中文翻译：

脂质的极化力场发展及其在膜蛋白中的有效应用

由于在模拟静电相互作用中附加力场的内在问题，已开发出可极化的力场。由于能够准确描述静电环境发生重大变化的系统的行为，可极化的力场可能是研究膜相关系统（如脂质双层）的一种不错的工具，尽管并未取得太多进展。在这篇概述文章中，我们描述了各种可极化力场的发展，包括相应的理论，基准示例，更具体地说，我们专注于脂质膜的应用。电线Comput Mol Sci 2017，7：e1312。doi：10.1002 / wcms.1312

更新日期：2017-04-26

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