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On the Dielectric Boundary in Poisson-Boltzmann Calculations
In applying the Poisson-Boltzmann (PB) equation for calculating the electrostatic free energies of solute molecules, an open question is how to specify the boundary between the low-dielectric solute and the high-dielectric solvent. Two common specifications of the dielectric boundary, as the molecul...
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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2008
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3538373/ https://ncbi.nlm.nih.gov/pubmed/23304097 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct700319x |
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