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The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling
Continuum solvation models are widely used to estimate the hydration free energies of small molecules and proteins, in applications ranging from drug design to protein engineering, and most such models are based on the approximation of a linear dielectric response by the solvent. We used explicit-wa...
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| Główni autorzy: | , , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
AIP Publishing LLC
2013
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| Hasła przedmiotowe: | |
| Dostęp online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3695974/ https://ncbi.nlm.nih.gov/pubmed/23781802 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4808376 |
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