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A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids
In all of the classical force fields, electrostatic interaction is simply treated and explicit electronic polarizability is neglected. The condensed-phase polarization, relative to the gas-phase charge distributions, is commonly accounted for in an average way by increasing the atomic charges, which...
Autores principales: | Chu, Huiying, Peng, Xiangda, Li, Yan, Zhang, Yuebin, Li, Guohui |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017617/ https://www.ncbi.nlm.nih.gov/pubmed/29301229 http://dx.doi.org/10.3390/molecules23010077 |
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