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What Role Do Surfaces Play in GB Models? A New-Generation of Surface-Generalized Born Model Based on a Novel Gaussian Surface for Biomolecules
We have developed a version of our surface generalized Born (SGB) model that employs a Gaussian surface, as opposed to the van der Waals surface used previously. The Gaussian surface is smooth and its properties are analytically differentiable with respect to the positions of atoms. A significant ad...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2743414/ https://ncbi.nlm.nih.gov/pubmed/16261581 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.20307 |
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