Sfoglia per Autore
Multi-scale modeling of folic acid-functionalized TiO2 nanoparticles for active targeting of tumor cells
2022 Donadoni, E; Siani, P; Frigerio, G; Di Valentin, C
Molecular dynamics simulations of cRGD-conjugated PEGylated TiO$_{2}$ nanoparticles for targeted photodynamic therapy
2022 Siani, P; Frigerio, G; Donadoni, E; Di Valentin, C
Molecular dynamics simulations of doxorubicin in sphingomyelin-based lipid membranes
2022 Siani, P; Donadoni, E; Ferraro, L; Re, F; Di Valentin, C
Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations
2021 Motta, S; Siani, P; Levy, A; Di Valentin, C
Parametrization of the Fe-Owatercross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4nanoparticle of realistic size
2021 Siani, P; Bianchetti, E; Liu, H; Di Valentin, C
Multiscale simulations of the hydration shells surrounding spherical Fe3O4nanoparticles and effect on magnetic properties
2021 Liu, H; Siani, P; Bianchetti, E; Zhao, J; Di Valentin, C
Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations
2020 Liu, H; Bianchetti, E; Siani, P; Di Valentin, C
Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description
2020 Siani, P; Motta, S; Ferraro, L; Dohn, A; Di Valentin, C
Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death
2019 Martins, W; Santos, N; Rocha, C; Bacellar, I; Tsubone, T; Viotto, A; Matsukuma, A; Abrantes, A; Siani, P; Dias, L; Baptista, M
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