Characterization of low-energy conformational domains for Met-enkephalin. - Juan J. Perez; Hugo O. Villar; Gilda H. Loew (J. Comput. Aided Mol. Des., 1992)

Considerations on the recognition of the D1 receptor by agonists. - Ibon Alkorta; Hugo O. Villar (J. Comput. Aided Mol. Des., 1993)

Comparative study between ab initio and semiempirical electrostatic potentials on molecular surfaces. - Ibon Alkorta; Hugo O. Villar; Gustavo A. Arteca (J. Comput. Chem., 1993)

Conformational analysis of 2, 3, 6, 7-tetrahydroazepines with implications for D1-selective benzazepines. - Ibon Alkorta; Hugo O. Villar; Raul E. Cachau (J. Comput. Chem., 1993)

Comparison of methods to estimate the free energy of solvation: Importance in the modulation of the affinity of 3-benzazepines for the D1receptor. - Ibon Alkorta; Hugo O. Villar; Juan Jesús Pérez (J. Comput. Chem., 1993)

Exhaustive enumeration of molecular substructures. - Richard G. A. Bone; Hugo O. Villar (J. Comput. Chem., 1997)

Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting. - Steven L. Dixon; Hugo O. Villar (J. Chem. Inf. Comput. Sci., 1998)

Investigation of classification methods for the prediction of activity in diverse chemical libraries. - Steven L. Dixon; Hugo O. Villar (J. Comput. Aided Mol. Des., 1999)

Statistical relationships among docking scores for different protein binding sites. - Ryan T. Koehler; Hugo O. Villar (J. Comput. Aided Mol. Des., 2000)

Design of screening libraries biased for pharmaceutical discovery. - Ryan T. Koehler; Hugo O. Villar (J. Comput. Chem., 2000)

Differentiation of delta, µ, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties. - Marta Filizola; Hugo O. Villar; Gilda H. Loew (J. Comput. Aided Mol. Des., 2001)

Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors. - Marta Filizola; Silvina M. Tasso; Gilda H. Loew; Hugo O. Villar (J. Comput. Chem., 2001)

Development of an Informatics Platform for Therapeutic Protein and Peptide Analytics. - Mark R. Hansen; Hugo O. Villar; Eric Feyfant (J. Chem. Inf. Model., 2013)