New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach. - Ignacio Lizana; Gonzalo A. Jaña; Eduardo J. Delgado (J. Chem. Inf. Model., 2015)

Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam. - Ignacio Lizana; Eduardo J. Delgado (J. Comput. Chem., 2018)

A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2. - Ignacio Lizana; Elena A. Uribe; Eduardo J. Delgado (J. Comput. Aided Mol. Des., 2021)