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)