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AQUASOL: An efficient solver for the dipolar Poisson–Boltzmann–Langevin equation
The Poisson–Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson–Boltzmann–Langevin (DPBL) formalism...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2833186/ https://ncbi.nlm.nih.gov/pubmed/20151727 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3298862 |
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