Sohvi Luukkonen, Luc Belloni, Daniel Borgis, Maximilien Levesque. Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory.
Journal of Chemical Information and Modeling, American Chemical Society, 2020, 60 (7), pp.3558-3565.
⟨10.1021/acs.jcim.0c00526⟩.
⟨cea-02909000⟩