Polarizable force field development for lipids and their efficient applications in membrane proteins
文献类型：期刊论文
| 作者 | Peng, Xiangda; Chu, Huiying; Cao, Liaoran; Li, Guohui |
| 刊名 | WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
 |
| 出版日期 | 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 |
| 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). |
入库方式： OAI收割
来源：大连化学物理研究所
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