Publications by authors named "Ignacio Lizana"

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A Theoretical Study on the Mechanisms Involved in Catalytic Dehydrogenation and Dehydration of Isopropanol on SrTiO.
Ignacio Lizana, Gabriel Bernales, Gina Pecchi, Eduardo J Delgado

Chemphyschem· January 2024

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A rationale for the unlike potency of avibactam and ETX2514 against OXA-24 β-lactamase.
Ignacio Lizana, Gina Pecchi, Elena A Uribe, Eduardo J Delgado

Arch Biochem Biophys· September 2022

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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· September 2021

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Theoretical Evidence for the Nonoccurrence of Tetrahedral Intermediates in the Deacylation Pathway of the Oxacillinase-24/Avibactam Complex.
Ignacio Lizana, Diego Ortiz-López, Aleksei Delgado-Hurtado, Eduardo J Delgado

ACS Omega· December 2019

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Molecular Insights on the Release of Avibactam from the Acyl-Enzyme Complex.
Ignacio Lizana, Eduardo J Delgado

Biophys J· May 2019

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Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam.
Ignacio Lizana, Eduardo J Delgado

J Comput Chem· September 2018

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A QM/MM study on the enzymatic inactivation of cefotaxime.
Ignacio Lizana, Eduardo J Delgado

J Mol Model· July 2017

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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· August 2015

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