Eduardo J. Delgado
Orcid: 0000-0002-8468-3835
According to our database1,
Eduardo J. Delgado
authored at least 13 papers
between 2001 and 2021.
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Bibliography
2021
A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2.
J. Comput. Aided Mol. Des., 2021
2018
Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam.
J. Comput. Chem., 2018
2015
J. Chem. Inf. Model., 2015
2014
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study.
J. Chem. Inf. Model., 2014
A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHAS.
J. Comput. Chem., 2014
2012
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP.
J. Comput. Aided Mol. Des., 2012
2006
Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors.
J. Comput. Aided Mol. Des., 2006
2004
On the Aggregation State and QSPR Models. The Solubility of Herbicides as a Case Study.
J. Chem. Inf. Model., 2004
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds.
J. Comput. Chem., 2004
2003
A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular Formula.
J. Chem. Inf. Comput. Sci., 2003
Prediction of Henry's Law Constants of Triazine Derived Herbicides from Quantum Chemical Continuum Solvation Models.
J. Chem. Inf. Comput. Sci., 2003
2002
On the Calculation of Henry's Law Constants of Chlorinated Benzenes in Water from Semiempirical Quantum Chemical Methods.
J. Chem. Inf. Comput. Sci., 2002
2001
Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors.
J. Comput. Chem., 2001