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ORCIDAriela Vergara Jaque
Person information
- affiliation: University of Talca, Chile
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Journal Articles
- 2022
[j9]Daniel Bustos
, Erix Wiliam Hernández-Rodríguez, Horacio Poblete, Jans H. Alzate-Morales, Cecilia Challier, Cristhian Boetsch, Ariela Vergara Jaque, Paola Beassoni:
Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of Pseudomonas aeruginosa. J. Chem. Inf. Model. 62(12): 3067-3078 (2022)- 2020
- [j8]Giacomo Rossino, Ivana Orellana, Julio Caballero, Dirk Schepmann, Bernhard Wünsch, Marta Rui, Daniela Rossi, Mariela González-Avendaño, Simona Collina, Ariela Vergara Jaque:
New Insights into the Opening of the Occluded Ligand-Binding Pocket of Sigma1 Receptor: Binding of a Novel Bivalent RC-33 Derivative. J. Chem. Inf. Model. 60(2): 756-765 (2020) - [j7]Genoveva Rojas, Ivana Orellana, Roberto Rosales-Rojas, Jennie García-Olivares, Jeffrey Comer, Ariela Vergara Jaque:
Structural Determinants of the Dopamine Transporter Regulation Mediated by G Proteins. J. Chem. Inf. Model. 60(7): 3577-3586 (2020) - 2018
- [j6]Karel Mena-Ulecia, Fabian Gonzalez-Norambuena, Ariela Vergara Jaque, Horacio Poblete, William Tiznado, Julio Caballero:
Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations. J. Comput. Chem. 39(16): 986-992 (2018) - 2017
- [j5]Ariela Vergara Jaque, Peying Fong, Jeffrey Comer:
Iodide Binding in Sodium-Coupled Cotransporters. J. Chem. Inf. Model. 57(12): 3043-3055 (2017) - 2012
- [j4]Ariela Vergara Jaque, Horacio Poblete, Eric H. Lee, Klaus Schulten, Fernando D. González Nilo, Christophe Chipot:
Molecular Basis of Drug Resistance in A/H1N1 Virus. J. Chem. Inf. Model. 52(10): 2650-2656 (2012) - 2011
- [j3]Julio Caballero, Jans H. Alzate-Morales, Ariela Vergara Jaque:
Investigation of the Differences in Activity between Hydroxycycloalkyl N1 Substituted Pyrazole Derivatives As Inhibitors of B-Raf Kinase by Using Docking, Molecular Dynamics, QM/MM, and Fragment-Based De Novo Design: Study of Binding Mode of Diastereomer Compounds. J. Chem. Inf. Model. 51(11): 2920-2931 (2011) - 2010
- [j2]Jans H. Alzate-Morales, Ariela Vergara Jaque, Julio Caballero:
Computational Study on the Interaction of N1 Substituted Pyrazole Derivatives with B-Raf Kinase: An Unusual Water Wire Hydrogen-Bond Network and Novel Interactions at the Entrance of the Active Site. J. Chem. Inf. Model. 50(6): 1101-1112 (2010) - 2009
- [j1]Jans H. Alzate-Morales, Julio Caballero, Ariela Vergara Jaque, Fernando D. González Nilo:
Insights into the Structural Basis of N2 and O6 Substituted Guanine Derivatives as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors: Prediction of the Binding Modes and Potency of the inhibitors by Docking and ONIOM Calculations. J. Chem. Inf. Model. 49(4): 886-899 (2009)
Coauthor Index
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