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On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function
Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric approach: a biomolecule is assigned low dielectric constant while the water phase is considered as a high dielectric constant medium. However, such an approach treats the biomolecule-water interface as a sh...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2014
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4092036/ https://ncbi.nlm.nih.gov/pubmed/25018579 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1142/S0219633614400021 |
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