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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
KeywordMolecular Dynamics Simulation Force Field Enhanced Sampling Enzyme Reaction
Source PublicationACTA PHYSICO-CHIMICA SINICA
2017-05-31
DOI10.3866/PKU.WHXB201704144
Volume33Pages:1354-1365
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordGROMOS 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
AbstractMolecular 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.
Language英语
WOS IDWOS:000403249300013
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Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/152090
Collection中国科学院大连化学物理研究所
Affiliation1.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
Recommended Citation
GB/T 7714
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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