Incorporating Dipolar Solvents with Variable Density in Poisson-Boltzmann Electrostatics

We describe a new way to calculate the electrostatic properties of macromolecules that goes beyond the classical Poisson-Boltzmann treatment with only a small extra CPU cost. The solvent region is no longer modeled as a homogeneous dielectric media but rather as an assembly of self-orienting interac...

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Bibliographic Details
Main Authors: Azuara, Cyril, Orland, Henri, Bon, Michael, Koehl, Patrice, Delarue, Marc
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2008
Subjects:
Biophysical Theory and Modeling
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2599837/
https://ncbi.nlm.nih.gov/pubmed/18820239
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.131649
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