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Variational approach for nonpolar solvation analysis
Solvation analysis is one of the most important tasks in chemical and biological modeling. Implicit solvent models are some of the most popular approaches. However, commonly used implicit solvent models rely on unphysical definitions of solvent-solute boundaries. Based on differential geometry, the...
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| Autori principali: | , , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Institute of Physics
2012
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3436914/ https://ncbi.nlm.nih.gov/pubmed/22938212 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4745084 |
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