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Using Correlated Monte Carlo Sampling for Efficiently Solving the Linearized Poisson-Boltzmann Equation Over a Broad Range of Salt Concentration

Dielectric continuum or implicit solvent models provide a significant reduction in computational cost when accounting for the salt-mediated electrostatic interactions of biomolecules immersed in an ionic environment. These models, in which the solvent and ions are replaced by a dielectric continuum,...

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Autores principales: Fenley, Marcia O., Mascagni, Michael, McClain, James, Silalahi, Alexander R.J., Simonov, Nikolai A.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2010
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2904251/
https://ncbi.nlm.nih.gov/pubmed/20640228
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct9003806
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