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Long-ranged contributions to solvation free energies from theory and short-ranged models
Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like) treatments of Coulomb interactions add significant overhead to computer simulations and can produce artifacts from spurious interactions betwee...
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| Publicado en: | Proc Natl Acad Sci U S A |
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| Autores principales: | , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
National Academy of Sciences
2016
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4801310/ https://ncbi.nlm.nih.gov/pubmed/26929375 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1521570113 |
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