Development of a conformational search strategy for flexible ligands: A study of the potent μ-selective opioid analgesic fentanyl. - Chiara Cometta-Morini; Gilda H. Loew (J. Comput. Aided Mol. Des., 1991)

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

Comparative study of free energies of solvation of phenylimidazole inhibitors of cytochrome P450cam by free energy simulation, AMSOL, and Poisson Boltzmann methods. - Dan Harris; Gilda Loew (J. Comput. Chem., 1996)

Development of a common 3D pharmacophore for delta-opioid recognition from peptides and non-peptides using a novel computer program. - Ping Huang; Susan Kim; Gilda Loew (J. Comput. Aided Mol. Des., 1997)

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)