Polarizable force field development for lipids and their efficient applications in membrane proteins

	Polarizable force field development for lipids and their efficient applications in membrane proteins
	Peng, Xiangda; Chu, Huiying; Cao, Liaoran; Li, Guohui
刊名	WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
	2017-09-01
卷号	7 期号:5
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
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
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000407492200002
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/149939]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian, Peoples R China
推荐引用方式 GB/T 7714	Peng, Xiangda,Chu, Huiying,Cao, Liaoran,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).
APA	Peng, Xiangda,Chu, Huiying,Cao, Liaoran,&Li, Guohui.(2017).Polarizable force field development for lipids and their efficient applications in membrane proteins.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE,7(5).
MLA	Peng, Xiangda,et al."Polarizable force field development for lipids and their efficient applications in membrane proteins".WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 7.5(2017).