Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion

The study of the formation of microstructures during the interaction of a protonated drug-like compound (API) with a maleic acid monoanion sheds light on the assembly processes in an aqueous solution at the molecular level. Molecular dynamics (MD) simulations coupled with density functional theory (...

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Detalles Bibliográficos
Autores principales: Vener, Mikhail V., Makhrov, Denis E., Voronin, Alexander P., Shalafan, Daria R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9181654/
https://www.ncbi.nlm.nih.gov/pubmed/35682979
http://dx.doi.org/10.3390/ijms23116302

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9181654/
https://www.ncbi.nlm.nih.gov/pubmed/35682979
http://dx.doi.org/10.3390/ijms23116302

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