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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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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2008
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| Assuntos: | |
| Acesso em linha: | 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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