Julio Caballero
Orcid: 0000-0003-0182-1444
According to our database1,
Julio Caballero
authored at least 23 papers
between 2005 and 2024.
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Bibliography
2024
Understanding the Interactions of Ubiquitin-Specific Protease 7 with Its Substrates through Molecular Dynamics Simulations: Insights into the Role of Its C-Terminal Domains in Substrate Recognition.
J. Chem. Inf. Model., 2024
2022
Bioinform., November, 2022
Bioinform., 2022
2021
PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations.
J. Chem. Inf. Model., 2021
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics.
Bioinform., 2021
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
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins.
J. Comput. Chem., 2020
LigRMSD: a web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking.
Bioinform., 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
Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors.
J. Comput. Aided Mol. Des., 2018
2016
The Dynamic Nonprime Binding of Sampatrilat to the C-Domain of Angiotensin-Converting Enzyme.
J. Chem. Inf. Model., 2016
2013
In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs.
J. Chem. Inf. Model., 2013
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
Docking and quantitative structure-activity relationship studies for 3-fluoro-4-(pyrrolo[2, 1-<i>f</i>][1, 2, 4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2, 3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives as c-Met kinase inhibitors.
J. Comput. Aided Mol. Des., 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
Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM.
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
2006
Amino Acid Sequence Autocorrelation Vectors and Ensembles of Bayesian-Regularized Genetic Neural Networks for Prediction of Conformational Stability of Human Lysozyme Mutants.
J. Chem. Inf. Model., 2006
2005
Modeling of Cyclin-Dependent Kinase Inhibition by 1<i>H</i>-Pyrazolo[3, 4-<i>d</i>]Pyrimidine Derivatives Using Artificial Neural Network Ensembles.
J. Chem. Inf. Model., 2005
Genetic neural network modeling of the selective inhibition of the intermediate-conductance Ca<sup>2+</sup>-activated K<sup>+ </sup>channel by some triarylmethanes using topological charge indexes descriptors.
J. Comput. Aided Mol. Des., 2005