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Beyond Poisson-Boltzmann: Modeling Biomolecule-Water and Water-Water Interactions

We present an extension to the Poisson-Boltzmann model in which the solvent is modeled as an assembly of self-orienting dipoles of variable densities. Interactions between these dipoles are included implicitly using a Yukawa potential field. This model leads to a set of equations whose solutions giv...

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Detalhes bibliográficos
Main Authors: Koehl, Patrice, Orland, Henri, Delarue, Marc
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2664224/
https://ncbi.nlm.nih.gov/pubmed/19257790
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