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Eduardo J. Delgado
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2020 – today
- 2021
- [j13]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): 943-952 (2021)
2010 – 2019
- 2018
- [j12]Ignacio Lizana, Eduardo J. Delgado:
Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam. J. Comput. Chem. 39(24): 1943-1948 (2018) - 2015
- [j11]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): 1640-1644 (2015) - 2014
- [j10]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): 488-494 (2014) - [j9]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): 926-932 (2014) - 2012
- [j8]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): 977-982 (2012)
2000 – 2009
- 2006
- [j7]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): 539-548 (2006) - 2004
- [j6]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): 1787-1796 (2004) - [j5]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): 958-963 (2004) - 2003
- [j4]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): 1226-1230 (2003) - [j3]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): 1928-1932 (2003) - 2002
- [j2]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): 559-563 (2002) - 2001
- [j1]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): 1851-1856 (2001)
Coauthor Index
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