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Numerical Interpretation of Molecular Surface Field in Dielectric Modeling of Solvation
Continuum solvent models, particularly those based on the Poisson-Boltzmann equation (PBE), are widely used in the studies of biomolecular structures and functions. Existing PBE developments have been mainly focused on how to obtain more accurate and/or more efficient numerical potentials and energi...
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| Pubblicato in: | J Comput Chem |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2017
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5464005/ https://ncbi.nlm.nih.gov/pubmed/28318096 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24782 |
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