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A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides
A classical nonpolarizable force field is presented for the simulation of aqueous alkali halide solutions (MX), where M = Li(+), Na(+), K(+), Rb(+), Cs(+) and X = F(−), Cl(−), Br(−), I(−), and their interactions with biomolecules. The models are specifically designed to reproduce the experimental Ki...
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| Autores principales: | , , , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2011
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3141341/ https://ncbi.nlm.nih.gov/pubmed/21789033 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100517z |
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