| The puzzling issue of silica toxicity: are silanols bridging the gaps between surface states and pathogenicity? C Pavan, M Delle Piane, M Gullo, F Filippi, B Fubini, P Hoet, CJ Horwell, ... Particle and fibre toxicology 16, 1-10, 2019 | 93 | 2019 |
| Does dispersion dominate over H-bonds in drug–surface interactions? The case of silica-based materials as excipients and drug-delivery agents M Delle Piane, M Corno, P Ugliengo Journal of chemical theory and computation 9 (5), 2404-2415, 2013 | 86 | 2013 |
| Large-scale B3LYP simulations of ibuprofen adsorbed in MCM-41 mesoporous silica as drug delivery system M Delle Piane, M Corno, A Pedone, R Dovesi, P Ugliengo The Journal of Physical Chemistry C 118 (46), 26737-26749, 2014 | 70 | 2014 |
| Silica-based materials as drug adsorbents: first principle investigation on the role of water microsolvation on ibuprofen adsorption M Delle Piane, S Vaccari, M Corno, P Ugliengo The Journal of Physical Chemistry A 118 (31), 5801-5807, 2014 | 57 | 2014 |
| A new massively parallel version of CRYSTAL for large systems on high performance computing architectures R Orlando, M Delle Piane, IJ Bush, P Ugliengo, M Ferrabone, R Dovesi Journal of computational chemistry 33 (28), 2276-2284, 2012 | 57 | 2012 |
| Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations F Chiatti, M Delle Piane, P Ugliengo, M Corno Theoretical Chemistry Accounts 135, 1-15, 2016 | 39 | 2016 |
| Structural and Computational Assessment of the Influence of Wet-Chemical Post-Processing of the Al-Substituted Cubic Li7La3Zr2O12 R Kun, F Langer, M Delle Piane, S Ohno, WG Zeier, M Gockeln, ... ACS applied materials & interfaces 10 (43), 37188-37197, 2018 | 38 | 2018 |
| Simulation and experiment reveal a complex scenario for the adsorption of an antifungal drug in ordered mesoporous silica A Gignone, M Delle Piane, M Corno, P Ugliengo, B Onida The Journal of Physical Chemistry C 119 (23), 13068-13079, 2015 | 35 | 2015 |
| Molecular dynamics simulations of the silica–cell membrane interaction: insights on biomineralization and Nanotoxicity M Delle Piane, S Potthoff, CJ Brinker, L Colombi Ciacchi The Journal of Physical Chemistry C 122 (37), 21330-21343, 2018 | 24 | 2018 |
| CO32– Mobility in Carbonate Apatite As Revealed by Density Functional Modeling F Peccati, M Corno, M Delle Piane, G Ulian, P Ugliengo, G Valdre The Journal of Physical Chemistry C 118 (2), 1364-1369, 2014 | 24 | 2014 |
| On the interactions of melatonin/β-cyclodextrin inclusion complex: A novel approach combining efficient semiempirical extended tight-binding (xTB) results with ab initio methods R Ferrero, S Pantaleone, M Delle Piane, F Caldera, M Corno, F Trotta, ... Molecules 26 (19), 5881, 2021 | 22 | 2021 |
| Ligand-functionalized Pt nanoparticles as asymmetric heterogeneous catalysts: molecular reaction control by ligand–reactant interactions A Šulce, J Backenköhler, I Schrader, M Delle Piane, C Müller, A Wark, ... Catalysis Science & Technology 8 (23), 6062-6075, 2018 | 21 | 2018 |
| Modelling and simulation in the science of micro-and meso-porous materials CRA Catlow, V Van Speybroeck, R van Santen Elsevier, 2017 | 21 | 2017 |
| Atomistic details of chymotrypsin conformational changes upon adsorption on silica N Hildebrand, M Michaelis, N Wurzler, Z Li, JD Hirst, A Micsonai, J Kardos, ... ACS Biomaterials Science & Engineering 4 (12), 4036-4050, 2018 | 20 | 2018 |
| Elucidating the fundamental forces in protein crystal formation: the case of crambin M Delle Piane, M Corno, R Orlando, R Dovesi, P Ugliengo Chemical Science 7 (2), 1496-1507, 2016 | 19 | 2016 |
| Reconstructing reactivity in dynamic host–guest systems at atomistic resolution: amide hydrolysis under confinement in the cavity of a coordination cage M Delle Piane, L Pesce, M Cioni, GM Pavan Chemical Science 13 (37), 11232-11245, 2022 | 13 | 2022 |
| Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments M Cioni, D Polino, D Rapetti, L Pesce, M Delle Piane, GM Pavan The Journal of Chemical Physics 158 (12), 2023 | 12 | 2023 |
| Models for biomedical interfaces: A computational study of quinone-functionalized amorphous silica surface features M Corno, M Delle Piane, P Choquet, P Ugliengo Physical Chemistry Chemical Physics 19 (11), 7793-7806, 2017 | 12 | 2017 |
| Computational study of acidic and basic functionalized crystalline silica surfaces as a model for biomaterial interfaces M Corno, M Delle Piane, S Monti, M Moreno-Couranjou, P Choquet, ... Langmuir 31 (23), 6321-6331, 2015 | 12 | 2015 |
| Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles D Rapetti, M Delle Piane, M Cioni, D Polino, R Ferrando, GM Pavan Communications Chemistry 6 (1), 143, 2023 | 10 | 2023 |
Marta CornoAssociate Professor Phys. Chem., PhD, Chemistry Department, University of Turin, ItalyEmail verificata su unito.it
