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On-the-fly Numerical Surface Integration for Finite-Difference Poisson-Boltzmann Methods
Most implicit solvation models require the definition of a molecular surface as the interface that separates the solute in atomic detail from the solvent approximated as a continuous medium. Commonly used surface definitions include the solvent accessible surface (SAS), the solvent excluded surface...
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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/PMC3998210/ https://ncbi.nlm.nih.gov/pubmed/24772042 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200389p |
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