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Polarizable force field development for lipids and their efficient applications in membrane proteins
Chu, Huiying; Cao, Liaoran; Peng, Xiangda; Li, Guohui
Source PublicationWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
2017-09-01
DOI10.1002/wcms.1312
Volume7Issue:5
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Life Sciences & Biomedicine
WOS SubjectChemistry, Multidisciplinary ; Mathematical & Computational Biology
WOS Research AreaChemistry ; Mathematical & Computational Biology
WOS KeywordMOLECULAR-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
AbstractPolarizable 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
Language英语
WOS IDWOS:000407492200002
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/149939
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian, Peoples R China
Recommended Citation
GB/T 7714
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).
APA Chu, Huiying,Cao, Liaoran,Peng, Xiangda,&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 Chu, Huiying,et al."Polarizable force field development for lipids and their efficient applications in membrane proteins".WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 7.5(2017).
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