Influence of ionization on the conformational preferences of peptide models. Ramachandran surfaces of N-formyl-glycine amide and N-formyl-alanine amide radical cations. - Adrià Gil; Mariona Sodupe; Juan Bertrán (J. Comput. Chem., 2009)

In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases. - Cristina Rodríguez-Rodríguez; Albert Rimola; Jorge Alí-Torres; Mariona Sodupe; Pilar González-Duarte (J. Comput. Aided Mol. Des., 2011)

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations. - Stefano Pantaleone; Albert Rimola; Javier Navarro-Ruiz; Pierre Mignon; Mariona Sodupe; Piero Ugliengo; Nadia Balucani (ICCSA (7), 2020)

First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach. - Stefano Pantaleone; Albert Rimola; Piero Ugliengo; Mariona Sodupe (J. Chem. Inf. Model., 2021)