Eduardo J. Delgado

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2021 J jnl
A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2.
J. Comput. Aided Mol. Des.
Ignacio Lizana, Elena A. Uribe, Eduardo J. Delgado
2018 J jnl
Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam.
J. Comput. Chem.
Ignacio Lizana, Eduardo J. Delgado
2015 J jnl
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach.
J. Chem. Inf. Model.
Ignacio Lizana, Gonzalo A. Jaña, Eduardo J. Delgado
2014 J jnl
A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHAS.
J. Comput. Chem.
Leslie Sánchez, Gonzalo A. Jaña, Eduardo J. Delgado
2014 J jnl
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study.
J. Chem. Inf. Model.
Gonzalo A. Jaña, Eduardo J. Delgado, Fabiola E. Medina
2012 J jnl
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP.
J. Comput. Aided Mol. Des.
Omar Alvarado, Gonzalo A. Jaña, Eduardo J. Delgado
2006 J jnl
Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors.
J. Comput. Aided Mol. Des.
Ernesto Estrada, Gerardo Díaz, Eduardo J. Delgado
2004 J jnl
On the Aggregation State and QSPR Models. The Solubility of Herbicides as a Case Study.
J. Chem. Inf. Model.
Eduardo J. Delgado, Joel B. Alderete, Adelio R. Matamala, Gonzalo A. Jaña
2004 J jnl
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds.
J. Comput. Chem.
Ernesto Estrada, Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña
2003 J jnl
A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular Formula.
J. Chem. Inf. Comput. Sci.
Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña
2003 J jnl
Prediction of Henry's Law Constants of Triazine Derived Herbicides from Quantum Chemical Continuum Solvation Models.
J. Chem. Inf. Comput. Sci.
Eduardo J. Delgado, Joel B. Alderete
2002 J jnl
On the Calculation of Henry's Law Constants of Chlorinated Benzenes in Water from Semiempirical Quantum Chemical Methods.
J. Chem. Inf. Comput. Sci.
Eduardo J. Delgado, Joel B. Alderete
2001 J jnl
Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors.
J. Comput. Chem.
Eduardo J. Delgado, Joel B. Alderete