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Drug delivery mediated by silica based support: does dispersion over H-bond interactions? 2012 Massimo Delle Piane; Marta Corno; Piero Ugliengo
Drug delivery mediated by silica based support: does dispersion dominate over H-bond interactions? 2012 Piero Ugliengo; Massimo Delle Piane; Marta Corno
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures 2012 Roberto Orlando; Massimo Delle Piane; Ian J. Bush; Piero Ugliengo; Matteo Ferrabone; Roberto Dovesi
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents 2013 Massimo Delle Piane;Marta Corno;Piero Ugliengo
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling 2014 Francesca Peccati;Marta Corno;Massimo Delle Piane;Gianfranco Ulian;Piero Ugliengo;Giovanni Valdrè
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System 2014 Massimo Delle Piane; Marta Corno; Alfonso Pedone; Roberto Dovesi; Piero Ugliengo
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption 2014 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 Gignone, Andrea; Delle Piane, Massimo; Corno, Marta; Ugliengo, Piero; Onida, Barbara
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces 2015 Corno, Marta; Delle Piane, Massimo; Monti, Susanna; Moreno-Couranjou, Maryline; Choquet, Patrick; Ugliengo, Piero
Elucidating the fundamental forces in protein crystal formation: The case of crambin 2016 Delle Piane, Massimo; Corno, Marta; Orlando, Roberto; Dovesi, Roberto; Ugliengo, Piero
Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations 2016 Chiatti, Fabio; Delle Piane, Massimo; Ugliengo, Piero; Corno, Marta
Propionic acid derivatives confined in mesoporous silica: monomers or dimers? The case of ibuprofen investigated by static and dynamic ab initio simulations 2016 Delle Piane, Massimo; Corno, Marta; Ugliengo, Piero
Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features 2017 Corno, Marta; Delle Piane, Massimo; Choquet, Patrick; Ugliengo, Piero
Epidemiologic Impact of the New Guidelines for the Diagnosis of Acute Rheumatic Fever 2018 Licciardi F.; Scaioli G.; Mulatero R.; Marolda A.; Delle Piane M.; Martino S.; Montin D.; Tovo P.A.
The puzzling issue of silica toxicity: Are silanols bridging the gaps between surface states and pathogenicity? 2019 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.
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 Ferrero R.; Pantaleone S.; Delle Piane M.; Caldera F.; Corno M.; Trotta F.; Brunella V.
Mostrati risultati da 1 a 16 di 16
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