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ORCIDGonzalo A. Jaña
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Journal Articles
- 2023
[j13]Leslie Sánchez
, Fabiola E. Medina, Fernanda Mendoza, Camilo Febres-Molina, Gonzalo A. Jaña:
Elucidation of the Reaction Mechanism of Cavia porcellus l-Asparaginase: A QM/MM Study. J. Chem. Inf. Model. 63(1): 270-280 (2023)- [j12]Jeisson D. Corredor, Camilo Febres-Molina, Gonzalo A. Jaña, Verónica A. Jiménez:
Insight into the Role of Active Site Protonation States and Water Molecules in the Catalytic Inhibition of DPP4 by Vildagliptin. J. Chem. Inf. Model. 63(4): 1338-1350 (2023) - 2020
- [j11]Fernanda Mendoza, Fabiola E. Medina, Verónica A. Jiménez, Gonzalo A. Jaña:
Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study. J. Chem. Inf. Model. 60(2): 915-922 (2020) - [j10]Fernanda Mendoza, Gonzalo A. Jaña:
Unveiling the Dynamical and Structural Features That Determine the Orientation of the Acceptor Substrate in the Landomycin Glycosyltransferase LanGT2 and Its Variant with C-Glycosylation Activity. J. Chem. Inf. Model. 60(2): 933-943 (2020) - [j9]Matías A. Zúñiga, Pilar A. Vásquez, Gonzalo A. Jaña, José L. Guzmán, Joel B. Alderete, Verónica A. Jiménez:
Mechanism-Based Rational Discovery and In Vitro Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity. J. Chem. Inf. Model. 60(6): 3204-3213 (2020) - 2017
- [j8]Matías A. Zúñiga, Joel B. Alderete, Gonzalo A. Jaña, Verónica A. Jiménez:
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 analysis. J. Comput. Aided Mol. Des. 31(7): 643-652 (2017) - 2015
- [j7]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
- [j6]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) - [j5]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
- [j4]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) - 2004
- [j3]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) - [j2]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
- [j1]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)
Coauthor Index
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