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Improved Poisson-Boltzmann Methods for High-Performance Computing
Implicit solvent models based on the Poisson-Boltzmann equation (PBE) have been widely used to study electrostatic interactions in biophysical processes. These models often treat the solvent and solute regions as high and low dielectric continua, leading to a large jump in dielectrics across the mol...
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| Veröffentlicht in: | J Chem Theory Comput |
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| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7194241/ https://ncbi.nlm.nih.gov/pubmed/31525962 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00602 |
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