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Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules
Cao Liao-Ran1; Zhang Chun-Yu2; Zhang Ding-Lin1; Chu Hui-Ying1; Zhang Yue-Bin1; Li Guo-Hui1
关键词Molecular Dynamics Simulation Force Field Enhanced Sampling Enzyme Reaction
刊名ACTA PHYSICO-CHIMICA SINICA
2017-05-31
DOI10.3866/PKU.WHXB201704144
33页:1354-1365
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
关键词[WOS]GROMOS FORCE-FIELD ; CLASSICAL DRUDE OSCILLATORS ; REPLICA-EXCHANGE ALGORITHM ; ELECTRONIC-ENERGY TRANSFER ; GUIDED LANGEVIN DYNAMICS ; HYDRATION FREE-ENERGIES ; CONFORMATIONAL-ANALYSIS ; INTERACTION PARAMETERS ; COMPUTER-SIMULATIONS ; ENZYMATIC-REACTIONS
英文摘要Molecular dynamics simulation (MDS) has gained increasing importance in current-day scientific research, as the supplement, guidance, or even replacement of experiments. In this review, we briefly introduce the history of the development of molecular dynamics simulation, focusing on recent progress including new-generation force fields, modern enhanced sampling schemes, and application for the investigation of complex biomolecules.
语种英语
WOS记录号WOS:000403249300013
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/152090
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian 116023, Liaoning Provin, Peoples R China
2.Liaohe Oil Field Gen Hosp, Panjin 124010, Liaoning Provin, Peoples R China
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Cao Liao-Ran,Zhang Chun-Yu,Zhang Ding-Lin,et al. Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules[J]. ACTA PHYSICO-CHIMICA SINICA,2017,33:1354-1365.
APA Cao Liao-Ran,Zhang Chun-Yu,Zhang Ding-Lin,Chu Hui-Ying,Zhang Yue-Bin,&Li Guo-Hui.(2017).Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules.ACTA PHYSICO-CHIMICA SINICA,33,1354-1365.
MLA Cao Liao-Ran,et al."Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules".ACTA PHYSICO-CHIMICA SINICA 33(2017):1354-1365.
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