Ariela Vergara Jaque

Orcid: 0000-0002-1236-013X

Affiliations:
  • University of Talca, Chile


According to our database1, Ariela Vergara Jaque authored at least 10 papers between 2009 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2024
Understanding the Differences of Danusertib's Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2024

2022
Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of <i>Pseudomonas aeruginosa</i>.
J. Chem. Inf. Model., 2022

2020
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., 2020

Structural Determinants of the Dopamine Transporter Regulation Mediated by G Proteins.
J. Chem. Inf. Model., 2020

2018
Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations.
J. Comput. Chem., 2018

2017
Iodide Binding in Sodium-Coupled Cotransporters.
J. Chem. Inf. Model., December, 2017

2012
Molecular Basis of Drug Resistance in A/H1N1 Virus.
J. Chem. Inf. Model., 2012

2011
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 <i>De Novo</i> Design: Study of Binding Mode of Diastereomer Compounds.
J. Chem. Inf. Model., 2011

2010
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., 2010

2009
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., 2009


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