Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers
文献类型：期刊论文
| 作者 | Cheng, Liwei2; Guo, Wei1,3; Chu, Huiying1; Cao, Liaoran1; Zhang, Depeng4; Liu, Jiahui4; Xu, Peijun4; Zheng, Xuefang3; Li, Guohui1 |
| 刊名 | MOLECULAR SIMULATION
 |
| 出版日期 | 2016 |
| 卷号 | 42期号:10页码:820-826 |
| 关键词 | Polarisable Force Field Electrostatic Interaction |
| ISSN号 | 0892-7022 |
| DOI | 10.1080/08927022.2016.1161190 |
| 文献子类 | Article |
| 英文摘要 | Molecular force fields (FFs) have an inherent difficulty in characterising electronic polarisation effects. In recent years, polarisable FFs were developed very quickly and have been used in a multitude of systems. In this article, we tried to represent the developments and applications of a number of polarisable FFs from several perspectives. Firstly, we reviewed the theories behind polarisable FFs to elucidate the advantages and disadvantages. Secondly, we describe some studies using polarisable FFs, ranging from water molecules to lipid membrane macromolecules. Finally, a brief development trend and perspective is given on rapidly growing polarisable FFs. |
| WOS关键词 | ELECTRIC MULTIPOLE POTENTIALS ; CLASSICAL DRUDE OSCILLATORS ; COARSE-GRAINED MODEL ; ATOMIC MULTIPOLE ; FLUCTUATING CHARGE ; WATER MODEL ; GAY-BERNE ; DMPC BILAYER ; PROTEINS ; DIPOLE |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000374778500005 |
| 出版者 | TAYLOR & FRANCIS LTD |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/170812]  |
| 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 |
| 通讯作者 | Xu, Peijun; Li, Guohui |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Dalian, Peoples R China 2.Liaohe OiField Gen Hosp, Panjin, Peoples R China 3.Dalian Univ, Sch Life Sci & Biotechnol, Dalian 116012, Peoples R China 4.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cheng, Liwei,Guo, Wei,Chu, Huiying,et al. Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers[J]. MOLECULAR SIMULATION,2016,42(10):820-826. |
| APA | Cheng, Liwei.,Guo, Wei.,Chu, Huiying.,Cao, Liaoran.,Zhang, Depeng.,...&Li, Guohui.(2016).Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers.MOLECULAR SIMULATION,42(10),820-826. |
| MLA | Cheng, Liwei,et al."Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers".MOLECULAR SIMULATION 42.10(2016):820-826. |
入库方式： OAI收割
来源：大连化学物理研究所
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