Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials. - Riccardo Concu; Gianni Podda; Eugenio Uriarte; Humberto González Díaz (J. Comput. Chem., 2009)

Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels. - Riccardo Concu; Martin Perez; M. Natália Dias Soeiro Cordeiro; Manuel Azenha (J. Chem. Inf. Model., 2014)

MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors. - Michael González-Durruthy; Silvana Manske Nunes; Juliane Ventura-Lima; Marcos A. Gelesky; Humberto González Díaz; José Maria Monserrat; Riccardo Concu; M. Natália Dias Soeiro Cordeiro (J. Chem. Inf. Model., 2019)