Cargando…

Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules

Background: Solubility is a physical property of high importance to the pharmaceutical industry, the prediction of which for potential drugs has so far been a hard task. We attempted to predict the solubility of acetylsalicylic acid (ASA) by estimating the absolute chemical potentials of its most st...

Descripción completa

Detalles Bibliográficos
Autores principales: Duarte Ramos Matos, Guilherme, Mobley, David L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000 Research Limited 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6069752/
https://www.ncbi.nlm.nih.gov/pubmed/30109026
http://dx.doi.org/10.12688/f1000research.14960.2

Ejemplares similares