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Current Medicinal Chemistry, ISSN 0929-8673, 10/2016, Volume 23, Issue 34, p. 3909
Molecular Dynamics (MD) simulations is a computational method that employs Newton’s laws to evaluate the motions of water, ions, small molecules, and... 
Temperature dependence | Membranes | Water chemistry | Computer simulation | Macromolecules | Molecular dynamics | Viruses | Pattern recognition | Drug development | Complex systems | Free energy | Design | Proteins | Artifacts | Lipid membranes | Simulation | Computer applications | Docking | Affinity | Structural analysis
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by Chu, L and Luo, L and Fwa, T.F
Construction and Building Materials, ISSN 0950-0618, 11/2019, Volume 225, pp. 1 - 12
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Construction and Building Materials, ISSN 0950-0618, 12/2015, Volume 101, pp. 536 - 547
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Key Engineering Materials, ISSN 1013-9826, 02/2016, Volume 686, pp. 194 - 199
There is a need to choose appropriate interatomic empirical potentials for the molecular dynamics (MD) simulation of nanomachining, so as to represent chip... 
Molecular dynamics | Interatomic potentials | Nanomachining | Carbon-carbon composites | Potential energy | Cutting | Computer simulation | Chip formation | Diamond tools | Nanostructure
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International Journal of Pharmaceutics, ISSN 0378-5173, 07/2012, Volume 431, Issue 1-2, pp. 26 - 32
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by Yang, B and Lin, SJ and Ren, JY and Liu, T and Wang, YM and Li, CM and Xu, WW and He, YW and Zheng, WH and Zhao, J and Yuan, XH and Liao, HX
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, ISSN 1422-0067, 05/2019, Volume 20, Issue 10, p. 2568
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Current Nanoscience, ISSN 1573-4137, 2017, Volume 13, Issue 1, pp. 31 - 39
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Journal of Non-Crystalline Solids, ISSN 0022-3093, 09/2019, Volume 519, pp. 119450 - 95
In order to understand how surface charge accumulation and other reactivity-related phenomena are controlled by the surface structure, it is necessary to have... 
Molecular dynamics | Calcium aluminosilicates | Structural inhomogeneity | Defects | TECTOSILICATE | TRICLUSTERS | QUANTIFICATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | COORDINATION | MATERIALS SCIENCE, CERAMICS | MQ-MAS NMR | FRAMEWORK | NON-BRIDGING OXYGEN | HIGH-RESOLUTION O-17 | SI-O
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