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Biosolvation Nature of Ionic Liquids: Molecular Dynamics Simulation of Methylated Nucleobases in Hydrated 1-Ethyl-3-methylimidazolium Acetate
[Image: see text] Solvation free energies of methylated nucleobases were calculated in pure and hydrated 1-ethyl-3-methylimidazolium acetate, [Emim][Ac], ionic liquid, and pure water using classical molecular dynamics simulations using multistate Bennett’s acceptance ratio method. The calculated sol...
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| Publicado no: | ACS Omega |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2018
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6644902/ https://ncbi.nlm.nih.gov/pubmed/31458966 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01231 |
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