Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane. - Fernando D. Suvire; Luis N. Santagata; José A. Bombasaro; Ricardo D. Enriz (J. Comput. Chem., 2006)

Ring inversion in 1, 4, 7 cyclononatriene and analogues: Ab initio and DFT calculations and topological analysis. - Miguel A. Zamora 002; Fernando D. Suvire; Ricardo D. Enriz (J. Comput. Chem., 2008)

Searching the "Biologically Relevant"Conformation of Dopamine: A Computational Approach. - Sebastian A. Andujar; Rodrigo D. Tosso; Fernando D. Suvire; Emilio Angelina; Nelida Peruchena; Nuria Cabedo; Diego Cortes; Ricardo D. Enriz (J. Chem. Inf. Model., 2012)

Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration. - Rodrigo D. Tosso; Sebastian A. Andujar; Lucas Gutierrez; Emilio Angelina; Ricaurte Rodríguez; Manuel Nogueras; Héctor A. Baldoni; Fernando D. Suvire; Justo Cobo; Ricardo D. Enriz (J. Chem. Inf. Model., 2013)

Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis. - Marcela Vettorazzi; Cintia Menéndez; Lucas Gutierrez; Sebastian A. Andujar; Gustavo Appignanesi; Ricardo D. Enriz (J. Comput. Aided Mol. Des., 2018)

Conformational and electronic study of dopamine interacting with the D2 dopamine receptor. - Rodrigo D. Tosso; Oscar Parravicini; M. Natalia C. Zarycz; Emilio Angelina; Marcela Vettorazzi; Nelida Peruchena; Sebastian A. Andujar; Ricardo D. Enriz (J. Comput. Chem., 2020)

Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods. - Rodrigo D. Tosso; M. Natalia C. Zarycz; Ayelén Schiel; Luisa Goicoechea Moro; Héctor A. Baldoni; Emilio Angelina; Ricardo D. Enriz (J. Comput. Chem., 2022)

The Mechanism of Antimicrobial Small-Cationic Peptides from Coarse-Grained Simulations. - Ezequiel N. Frigini; Rodolfo D. Porasso; Tamás Beke-Somfai; José Javier López Cascales; Ricardo D. Enriz; Sergio Pantano (J. Chem. Inf. Model., 2023)

N-Tosyl Hydrazone Benzopyran, a New Ligand of PPARα Obtained from Mapping the Conformational Space of Its Active Site. - Ayelén Schiel; Rodrigo D. Tosso; Emilio Angelina; Ainhoa García; Nathalie Hennuyer; Diego Cortes; Nuria Cabedo; Ricardo D. Enriz (J. Chem. Inf. Model., 2025)