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Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water
Due to the importance of water in chemical and biological systems, a coarse-grained representation of the solvent can greatly simplify the description of the system while retaining key thermodynamic properties of the medium. A multiscale solvation model that couples all-atom solutes and polarizable...
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| 出版年: | J Phys Chem B |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2016
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5816953/ https://ncbi.nlm.nih.gov/pubmed/26901452 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b00399 |
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