Gonzalo A. Jaña - researchr alias

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Viewing Publication 1 - 13 from 13

2023

Insight into the Role of Active Site Protonation States and Water Molecules in the Catalytic Inhibition of DPP4 by VildagliptinJeisson D. Corredor, Camilo Febres-Molina, Gonzalo A. Jaña, Verónica A. Jiménez. jcisd, 63(4):1338-1350, February 2023. [doi]

Cavia porcellus l-Asparaginase: A QM/MM StudyLeslie Sánchez, Fabiola E. Medina, Fernanda Mendoza, Camilo Febres-Molina, Gonzalo A. Jaña. jcisd, 63(1):270-280, 2023. [doi]

2020

2017

Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysisMatías A. Zúñiga, Joel B. Alderete, Gonzalo A. Jaña, Verónica A. Jiménez. jcamd, 31(7):643-652, 2017. [doi]

2015

New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical ApproachIgnacio Lizana, Gonzalo A. Jaña, Eduardo J. Delgado. jcisd, 55(8):1640-1644, 2015. [doi]

2014

How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical StudyGonzalo A. Jaña, Eduardo J. Delgado, Fabiola E. Medina. jcisd, 54(3):926-932, 2014. [doi]

A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHASLeslie Sánchez, Gonzalo A. Jaña, Eduardo J. Delgado. jcc, 35(6):488-494, 2014. [doi]

2012

Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDPOmar Alvarado, Gonzalo A. Jaña, Eduardo J. Delgado. jcamd, 26(8):977-982, 2012. [doi]

2004

On the Aggregation State and QSPR Models. The Solubility of Herbicides as a Case StudyEduardo J. Delgado, Joel B. Alderete, Adelio R. Matamala, Gonzalo A. Jaña. jcisd, 44(3):958-963, 2004. [doi]

Quantum-connectivity descriptors in modeling solubility of environmentally important organic compoundsErnesto Estrada, Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña. jcc, 25(14):1787-1796, 2004. [doi]

2003

A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular FormulaEduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña. jcisd, 43(6):1928-1932, 2003. [doi]

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