DELLE PIANE, MASSIMO
DELLE PIANE, MASSIMO
CHIMICA
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures
2012-01-01 Roberto Orlando; Massimo Delle Piane; Ian J. Bush; Piero Ugliengo; Matteo Ferrabone; Roberto Dovesi
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling
2014-01-01 Francesca Peccati;Marta Corno;Massimo Delle Piane;Gianfranco Ulian;Piero Ugliengo;Giovanni Valdrè
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces
2015-01-01 Corno, Marta; Delle Piane, Massimo; Monti, Susanna; Moreno-Couranjou, Maryline; Choquet, Patrick; Ugliengo, Piero
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents
2013-01-01 Massimo Delle Piane;Marta Corno;Piero Ugliengo
Drug delivery mediated by silica based support: does dispersion dominate over H-bond interactions?
2012-01-01 Piero Ugliengo; Massimo Delle Piane; Marta Corno
Drug delivery mediated by silica based support: does dispersion over H-bond interactions?
2012-01-01 Massimo Delle Piane; Marta Corno; Piero Ugliengo
Elucidating the fundamental forces in protein crystal formation: The case of crambin
2016-01-01 Delle Piane, Massimo; Corno, Marta; Orlando, Roberto; Dovesi, Roberto; Ugliengo, Piero
Epidemiologic Impact of the New Guidelines for the Diagnosis of Acute Rheumatic Fever
2018-01-01 Licciardi F.; Scaioli G.; Mulatero R.; Marolda A.; Delle Piane M.; Martino S.; Montin D.; Tovo P.A.
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System
2014-01-01 Massimo Delle Piane; Marta Corno; Alfonso Pedone; Roberto Dovesi; Piero Ugliengo
Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features
2017-01-01 Corno, Marta; Delle Piane, Massimo; Choquet, Patrick; Ugliengo, Piero
On the interactions of melatonin/β-cyclodextrin inclusion complex: A novel approach combining efficient semiempirical extended tight-binding (xtb) results with ab initio methods
2021-01-01 Ferrero R.; Pantaleone S.; Delle Piane M.; Caldera F.; Corno M.; Trotta F.; Brunella V.
Propionic acid derivatives confined in mesoporous silica: monomers or dimers? The case of ibuprofen investigated by static and dynamic ab initio simulations
2016-01-01 Delle Piane, Massimo; Corno, Marta; Ugliengo, Piero
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption
2014-01-01 Massimo Delle Piane; Stefano Vaccari; Marta Corno; Piero Ugliengo
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica
2015-01-01 Gignone, Andrea; Delle Piane, Massimo; Corno, Marta; Ugliengo, Piero; Onida, Barbara
The puzzling issue of silica toxicity: Are silanols bridging the gaps between surface states and pathogenicity?
2019-01-01 Pavan C.; Delle Piane M.; Gullo M.; Filippi F.; Fubini B.; Hoet P.; Horwell C.J.; Huaux F.; Lison D.; Lo Giudice C.; Martra G.; Montfort E.; Schins R.; Sulpizi M.; Wegner K.; Wyart-Remy M.; Ziemann C.; Turci F.
Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations
2016-01-01 Chiatti, Fabio; Delle Piane, Massimo; Ugliengo, Piero; Corno, Marta