Eduardo J. Delgado

Publication Activity (10 Years)

Years Active: 2001-2021
Publications (10 Years): 2

Top Topics

Theoretical Insights

Chemical Reactions

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Ignacio Lizana, Elena A. Uribe, Eduardo J. Delgado
A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2. J. Comput. Aided Mol. Des. 35 (9) (2021)
Ignacio Lizana, Eduardo J. Delgado
Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam. J. Comput. Chem. 39 (24) (2018)
Ignacio Lizana, Gonzalo A. Jaña, Eduardo J. Delgado
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach. J. Chem. Inf. Model. 55 (8) (2015)
Gonzalo A. Jaña, Eduardo J. Delgado, Fabiola E. Medina
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study. J. Chem. Inf. Model. 54 (3) (2014)
Leslie Sánchez, Gonzalo A. Jaña, Eduardo J. Delgado
A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHAS. J. Comput. Chem. 35 (6) (2014)
Omar Alvarado, Gonzalo A. Jaña, Eduardo J. Delgado
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP. J. Comput. Aided Mol. Des. 26 (8) (2012)
Ernesto Estrada, Gerardo Díaz, Eduardo J. Delgado
Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors. J. Comput. Aided Mol. Des. 20 (9) (2006)
Eduardo J. Delgado, Joel B. Alderete, Adelio R. Matamala, Gonzalo A. Jaña
On the Aggregation State and QSPR Models. The Solubility of Herbicides as a Case Study. J. Chem. Inf. Model. 44 (3) (2004)
Ernesto Estrada, Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds. J. Comput. Chem. 25 (14) (2004)
Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña
A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular Formula. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Eduardo J. Delgado, Joel B. Alderete
Prediction of Henry's Law Constants of Triazine Derived Herbicides from Quantum Chemical Continuum Solvation Models. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Eduardo J. Delgado, Joel B. Alderete
On the Calculation of Henry's Law Constants of Chlorinated Benzenes in Water from Semiempirical Quantum Chemical Methods. J. Chem. Inf. Comput. Sci. 42 (3) (2002)
Eduardo J. Delgado, Joel B. Alderete
Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors. J. Comput. Chem. 22 (15) (2001)