Gonzalo A. Jaña

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2023 J jnl
Elucidation of the Reaction Mechanism of
J. Chem. Inf. Model.
Leslie Sánchez, Fabiola E. Medina, Fernanda Mendoza, Camilo Febres-Molina, Gonzalo A. Jaña
2023 J jnl
Insight into the Role of Active Site Protonation States and Water Molecules in the Catalytic Inhibition of DPP4 by Vildagliptin.
J. Chem. Inf. Model.
Jeisson D. Corredor, Camilo Febres-Molina, Gonzalo A. Jaña, Verónica A. Jiménez
2020 J jnl
Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study.
J. Chem. Inf. Model.
Fernanda Mendoza, Fabiola E. Medina, Verónica A. Jiménez, Gonzalo A. Jaña
2020 J jnl
Mechanism-Based Rational Discovery and In Vitro Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity.
J. Chem. Inf. Model.
Matías A. Zúñiga, Pilar A. Vásquez, Gonzalo A. Jaña, José L. Guzmán, Joel B. Alderete, Verónica A. Jiménez
2020 J jnl
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.
Fernanda Mendoza, Gonzalo A. Jaña
2017 J jnl
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.
Matías A. Zúñiga, Joel B. Alderete, Gonzalo A. Jaña, Verónica A. Jiménez
2015 J jnl
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach.
J. Chem. Inf. Model.
Ignacio Lizana, Gonzalo A. Jaña, Eduardo J. Delgado
2014 J jnl
A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHAS.
J. Comput. Chem.
Leslie Sánchez, Gonzalo A. Jaña, Eduardo J. Delgado
2014 J jnl
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study.
J. Chem. Inf. Model.
Gonzalo A. Jaña, Eduardo J. Delgado, Fabiola E. Medina
2012 J jnl
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP.
J. Comput. Aided Mol. Des.
Omar Alvarado, Gonzalo A. Jaña, Eduardo J. Delgado
2004 J jnl
On the Aggregation State and QSPR Models. The Solubility of Herbicides as a Case Study.
J. Chem. Inf. Model.
Eduardo J. Delgado, Joel B. Alderete, Adelio R. Matamala, Gonzalo A. Jaña
2004 J jnl
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds.
J. Comput. Chem.
Ernesto Estrada, Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña
2003 J jnl
A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular Formula.
J. Chem. Inf. Comput. Sci.
Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña