Beyond the Poisson-Boltzmann Model: Modeling Biomolecule-Water and Water-Water Interactions
نویسندگان
چکیده
منابع مشابه
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 give the dipole densities; we use the latter to study the organization of water around biomolecules....
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2009
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.102.087801