Massimo Delle Piane
Massimo Delle Piane
Department of Applied Science and Technology (DISAT)
Verified email at - Homepage
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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
Particle toxicology and health-where are we?
M Riediker, D Zink, W Kreyling, G Oberd÷rster, A Elder, U Graham, ...
Particle and fibre toxicology 16 (1), 19, 2019
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
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
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
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 (3), 54, 2016
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
CO32– Mobility in Carbonate Apatite As Revealed by Density Functional Modeling
F Peccati, M Corno, M Delle Piane, G Ulian, P Ugliengo, G Valdrè
The Journal of Physical Chemistry C 118 (2), 1364-1369, 2014
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
Ligand-functionalized Pt nanoparticles as asymmetric heterogeneous catalysts: molecular reaction control by ligand–reactant interactions
A Šulce, J Backenk÷hler, I Schrader, M Delle Piane, C MŘller, A Wark, ...
Catalysis Science & Technology 8 (23), 6062-6075, 2018
Modelling and Simulation in the Science of Micro-and Meso-porous Materials
CRA Catlow, V Van Speybroeck, R van Santen
Elsevier, 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
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
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
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
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
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 Materialsá…, 2018
Propionic acid derivatives confined in mesoporous silica: monomers or dimers? The case of ibuprofen investigated by static and dynamic ab initio simulations
M Delle Piane, M Corno, P Ugliengo
Theoretical Chemistry Accounts 135 (3), 53, 2016
Impact of the Conformational Variability of Oligopeptides on the Computational Prediction of their CD Spectra
M Michaelis, N Hildebrand, RH Mei▀ner, N Wurzler, Z Li, JD Hirst, ...
The Journal of Physical Chemistry B 123 (31), 6694-6704, 2019
The definitive version is available at
M Delle Piane, M Corno, A Pedone, R Dovesi
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