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Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning
In this review we will discuss how computational methods, and in particular classical molecular dynamics simulations, can be used to calculate solubility of pharmaceutically relevant molecules and systems. To the extent possible, we focus on the non-technical details of these calculations, and try t...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier Science
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6434319/ https://www.ncbi.nlm.nih.gov/pubmed/30771454 http://dx.doi.org/10.1016/j.ejpb.2019.02.007 |