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Massimo Delle Piane
Massimo Delle Piane
Department of Applied Science and Technology (DISAT)
Verified email at polito.it - Homepage
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Cited by
Year
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
822013
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
792019
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
692014
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
542014
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
542012
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
372016
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
342018
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
322015
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
232018
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
212018
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
212014
Modelling and simulation in the science of micro-and meso-porous materials
CRA Catlow, V Van Speybroeck, R van Santen
Elsevier, 2017
202017
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
192016
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
172021
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
162018
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
122017
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
112015
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
92022
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
82023
Ab Initio Modeling of Hydrogen Bond Interaction at Silica Surfaces With Focus on Silica/Drugs Systems
M Delle Piane, M Corno, P Ugliengo
Modelling and Simulation in the Science of Micro-and Meso-Porous Materials …, 2018
82018
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