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Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies
Continuum modeling of electrostatic interactions based upon the numerical solutions of the Poisson-Boltzmann equation has been widely adopted in biomolecular applications. To extend their applications to molecular dynamics and energy minimization, robust and efficient methodologies to compute solvat...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3224087/ https://ncbi.nlm.nih.gov/pubmed/22125339 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2011.08.067 |
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