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...

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Detalles Bibliográficos
Autores principales: Chu, Huiying, Peng, Xiangda, Li, Yan, Zhang, Yuebin, Li, Guohui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
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

Internet

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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