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题名: Polarizable force field development for lipids and their efficient applications in membrane proteins
作者: Chu, Huiying1;  Cao, Liaoran1;  Peng, Xiangda1;  Li, Guohui1
刊名: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
发表日期: 2017-09-01
DOI: 10.1002/wcms.1312
卷: 7, 期:5
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Life Sciences & Biomedicine
类目[WOS]: Chemistry, Multidisciplinary ;  Mathematical & Computational Biology
研究领域[WOS]: Chemistry ;  Mathematical & Computational Biology
英文摘要: 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. (C) 2017 John Wiley & Sons, Ltd
关键词[WOS]: MOLECULAR-DYNAMICS SIMULATIONS ;  COARSE-GRAINED MODEL ;  CLASSICAL DRUDE OSCILLATOR ;  ELECTRIC MULTIPOLE POTENTIALS ;  GRAPHICS PROCESSING UNITS ;  GRAMICIDIN-A CHANNEL ;  MONOVALENT IONS LI+ ;  FREE-ENERGY PROFILE ;  X-RAY-SCATTERING ;  CHARGE EQUILIBRATION
语种: 英语
WOS记录号: WOS:000407492200002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/149939
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian, Peoples R China

Recommended Citation:
Chu, Huiying,Cao, Liaoran,Peng, Xiangda,et al. Polarizable force field development for lipids and their efficient applications in membrane proteins[J]. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE,2017,7(5).
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