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cond-mat.soft2021
Molecular Dynamics simulations of Doxorubicin in sphingomyelin-based lipid membranes
Paulo Siani, Edoardo Donadoni, Lorenzo Ferraro +2
Doxorubicin (DOX) is one of the most efficient antitumor drugs employed in numerous cancer therapies. Its incorporation into lipid-based nanocarriers, such as liposomes, improves t…
cond-mat.mtrl-sci2021★ 13 cited
Parametrization of the Fe-Owater cross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4 nanoparticle of realistic size
Paulo Siani, Enrico Bianchetti, Hongsheng Liu +1
The accurate description of iron oxides/water interfaces requires reliable force field parameters that can be developed through the comparison with sophisticated quantum mechanical…