Piero Ugliengo

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 5

Top Topics

Secondary Structure

Protein Folding

Periodic Motion

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Aurèle Germain, Marta Corno, Piero Ugliengo
Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice. ICCSA (5) (2021)
Jessica Perrero, Albert Rimola, Marta Corno, Piero Ugliengo
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models. ICCSA (5) (2021)
Stefano Pantaleone, Albert Rimola, Piero Ugliengo, Mariona Sodupe
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach. J. Chem. Inf. Model. 61 (11) (2021)
Stefano Pantaleone, Albert Rimola, Javier Navarro-Ruiz, Pierre Mignon, Mariona Sodupe, Piero Ugliengo, Nadia Balucani
Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations. ICCSA (7) (2020)
Aurèle Germain, Piero Ugliengo
Modeling Interstellar Amorphous Solid Water Grains by Tight-Binding Based Methods: Comparison Between GFN-XTB and CCSD(T) Results for Water Clusters. ICCSA (5) (2020)
Roberto Orlando, Massimo Delle Piane, Ian J. Bush, Piero Ugliengo, Matteo Ferrabone, Roberto Dovesi
A new massively parallel version of CRYSTAL for large systems on high performance computing architectures. J. Comput. Chem. 33 (28) (2012)
Marco De La Pierre, Roberto Orlando, Lorenzo Maschio, K. Doll, Piero Ugliengo, Roberto Dovesi
. J. Comput. Chem. 32 (9) (2011)