Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning
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DOI: 10.1016/j.ejpb.2019.02.007
Abstract: &NA; 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… read more here.
Keywords: computational pharmaceutics; solubilization; solubility; simulation computational ... See more keywords