Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems. - Maykel Cruz-Monteagudo; Humberto González Díaz; Guillermín Agüero-Chapín; Lourdes Santana; Fernanda Borges; Elena Rosa Domínguez; Gianni Podda; Eugenio Uriarte (J. Comput. Chem., 2007)

2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function. - Humberto González Díaz; Guillermín Agüero-Chapín; Javier Varona; Reinaldo Molina Ruiz; Giovanna Delogu; Lourdes Santana; Eugenio Uriarte; Gianni Podda (J. Comput. Chem., 2007)

Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices. - Humberto González Díaz; Yunierkis Pérez-Castillo; Gianni Podda; Eugenio Uriarte (J. Comput. Chem., 2007)

MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with an HMM Model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental Assay of a New Sequence. - Guillermín Agüero-Chapín; Humberto González Díaz; Gustavo de la Riva; Edrey Rodríguez; Aminael Sánchez-Rodríguez; Gianni Podda; Roberto I. Vazquez-Padrón (J. Chem. Inf. Model., 2008)

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)