| Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death WK Martins, NF Santos, CS Rocha, IOL Bacellar, TM Tsubone, AC Viotto, ... Autophagy 15 (2), 259-279, 2019 | 149 | 2019 |
| An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations P Siani, RM de Souza, LG Dias, R Itri, H Khandelia Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2498-2511, 2016 | 67 | 2016 |
| Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO 2 nanoparticles P Siani, C Di Valentin Nanoscale 14 (13), 5121-5137, 2022 | 22 | 2022 |
| Molecular dynamics simulations of doxorubicin in sphingomyelin-based lipid membranes P Siani, E Donadoni, L Ferraro, F Re, C Di Valentin Biochimica et Biophysica Acta (BBA)-Biomembranes 1864 (1), 183763, 2022 | 21 | 2022 |
| Multi-scale modeling of folic acid-functionalized TiO 2 nanoparticles for active targeting of tumor cells E Donadoni, P Siani, G Frigerio, C Di Valentin Nanoscale 14 (33), 12099-12116, 2022 | 18 | 2022 |
| Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations H Liu, E Bianchetti, P Siani, C Di Valentin The Journal of Chemical Physics 152 (12), 2020 | 18 | 2020 |
| Molecular dynamics simulations of cRGD-conjugated PEGylated TiO2 nanoparticles for targeted photodynamic therapy P Siani, G Frigerio, E Donadoni, C Di Valentin Journal of Colloid and Interface Science 627, 126-141, 2022 | 16 | 2022 |
| Methylene blue location in (hydroperoxized) cardiolipin monolayer: implication in membrane photodegradation RM de Souza, P Siani, TF Schmidt, R Itri, LG Dias The Journal of Physical Chemistry B 121 (36), 8512-8522, 2017 | 16 | 2017 |
| Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles S Motta, P Siani, E Donadoni, G Frigerio, L Bonati, C Di Valentin Nanoscale 15 (17), 7909-7919, 2023 | 13 | 2023 |
| Multiscale simulations of the hydration shells surrounding spherical Fe 3 O 4 nanoparticles and effect on magnetic properties H Liu, P Siani, E Bianchetti, J Zhao, C Di Valentin Nanoscale 13 (20), 9293-9302, 2021 | 13 | 2021 |
| Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description P Siani, S Motta, L Ferraro, AO Dohn, C Di Valentin Journal of Chemical Theory and Computation 16 (10), 6560-6574, 2020 | 12 | 2020 |
| Modeling zeta potential for nanoparticles in solution: water flexibility matters P Siani, G Frigerio, E Donadoni, C Di Valentin The Journal of Physical Chemistry C 127 (19), 9236-9247, 2023 | 10 | 2023 |
| Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics P Siani, H Khandelia, M Orsi, LG Dias Journal of Computer-Aided Molecular Design 32, 1259-1271, 2018 | 10 | 2018 |
| Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning G Frigerio, E Donadoni, P Siani, J Vertemara, S Motta, L Bonati, ... Nanoscale 16 (8), 4063-4081, 2024 | 8 | 2024 |
| 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 P Siani, E Bianchetti, H Liu, C Di Valentin The Journal of Chemical Physics 154 (3), 2021 | 8 | 2021 |
| Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations S Motta, P Siani, A Levy, C Di Valentin Nanoscale 13 (30), 13000-13013, 2021 | 8 | 2021 |
| Molecular dynamics for the optimal design of functionalized nanodevices to target folate receptors on tumor cells E Donadoni, G Frigerio, P Siani, S Motta, J Vertemara, L De Gioia, ... ACS Biomaterials Science & Engineering 9 (11), 6123-6137, 2023 | 6 | 2023 |
| The effect of polymer coating on nanoparticles’ interaction with lipid membranes studied by coarse-grained molecular dynamics simulations E Donadoni, P Siani, G Frigerio, C Milani, Q Cui, C Di Valentin Nanoscale 16 (18), 9108-9122, 2024 | 4 | 2024 |
| Unveiling the drug delivery mechanism of graphene oxide dots at the atomic scale G Frigerio, S Motta, P Siani, E Donadoni, C Di Valentin Journal of Controlled Release 379, 344-362, 2025 | | 2025 |
| Building up accurate atomistic models of biofunctionalized magnetite nanoparticles from first-principles calculations P Siani, E Bianchetti, C Di Valentin npj Computational Materials 11 (1), 20, 2025 | | 2025 |
