Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of sigma-receptor antagonist activities. - Humberto González Díaz; Ivan Hernández Sánchez; Eugenio Uriarte; Lourdes Santana (Comput. Biol. Chem., 2003)

In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds through the Use of TOPS-MODE and 2D/3D Connectivity Indices. 2. Purine Derivatives. - Santiago Vilar; Ernesto Estrada; Eugenio Uriarte; Lourdes Santana; Yaquelin Gutierrez (J. Chem. Inf. Model., 2005)

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)

QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks. - Santiago Vilar; Humberto González Díaz; Lourdes Santana; Eugenio Uriarte (J. Comput. Chem., 2008)

Drug-drug interaction through molecular structure similarity analysis. - Santiago Vilar; Rave Harpaz; Eugenio Uriarte; Lourdes Santana; Raul Rabadan; Carol Friedman (J. Am. Medical Informatics Assoc., 2012)