| 1 |
Decoding Collagen Triple Helix Stability by Means of Hybrid DFT Simulations
Cutini M, Bocus M, Ugliengo P
Journal of Physical Chemistry B, 123(34), 7354, 2019 |
| 2 |
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces
Corno M, Delle Piane M, Monti S, Moreno-Couranjou M, Choquet P, Ugliengo P
Langmuir, 31(23), 6321, 2015 |
| 3 |
Silica-Based Materials as Drug Adsorbents: First Principle Investigation on the Role of Water Microsolvation on Ibuprofen Adsorption
Delle Piane M, Vaccari S, Corno M, Ugliengo P
Journal of Physical Chemistry A, 118(31), 5801, 2014 |
| 4 |
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces
Navarro-Ruiz J, Ugliengo P, Rimola A, Sodupe M
Journal of Physical Chemistry A, 118(31), 5866, 2014 |
| 5 |
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments
Rimola A, Costa D, Sodupe M, Lambert JF, Ugliengo P
Chemical Reviews, 113(6), 4216, 2013 |
| 6 |
DFT Modeling of 45S5 and 77S Soda-Lime Phospho-Silicate Glass Surfaces: Clues on Different Bioactivity Mechanism
Berardo E, Pedone A, Ugliengo P, Corno M
Langmuir, 29(19), 5749, 2013 |
| 7 |
Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations
Rimola A, Aschi M, Orlando R, Ugliengo P
Journal of the American Chemical Society, 134(26), 10899, 2012 |
| 8 |
Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Moller-Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations
Maschio L, Civalleri B, Ugliengo P, Gavezzotti A
Journal of Physical Chemistry A, 115(41), 11179, 2011 |
| 9 |
Do H-Bond Features of Silica Surfaces Affect the H2O and NH3 Adsorption? Insights from Periodic B3LYP Calculations
Musso F, Ugliengo P, Sodupe M
Journal of Physical Chemistry A, 115(41), 11221, 2011 |
| 10 |
Formation versus Hydrolysis of the Peptide Bond from a Quantum-mechanical Viewpoint: The Role of Mineral Surfaces and Implications for the Origin of Life
Rimola A, Ugliengo P, Sodupe M
International Journal of Molecular Sciences, 10(3), 746, 2009 |
