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Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields
A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interf...
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| Autor principal: | |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
U.S. Government
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3432095/ https://ncbi.nlm.nih.gov/pubmed/22920098 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4742910 |
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