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Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi
The standard treatment of ions in the framework of the Poisson-Boltzmann equation relies on molecular surfaces, which are commonly constructed along with the Stern layer. The molecular surface determines where ions can be present. In the Gaussian-based smooth dielectric function in DelPhi, smooth bo...
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| Veröffentlicht in: | J Comput Chem |
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| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2017
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5495612/ https://ncbi.nlm.nih.gov/pubmed/28602026 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24831 |
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