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...

Descripción completa

Detalles Bibliográficos
Autores principales: Dasari, Sathish, Mallik, Bhabani S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644902/
https://www.ncbi.nlm.nih.gov/pubmed/31458966
http://dx.doi.org/10.1021/acsomega.8b01231

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644902/
https://www.ncbi.nlm.nih.gov/pubmed/31458966
http://dx.doi.org/10.1021/acsomega.8b01231

Ejemplares similares