Julio Caballero

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 14

Top Topics

Molecular Dynamics

Physico Chemical

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

José Luis Velázquez-Libera, Julio Caballero, Jans H. Alzate-Morales, Jose Javier Ruiz-Pernía, Iñaki Tuñón
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. 64 (10) (2024)
Roy González-Alemán, Daniel Platero-Rochart, Alejandro Rodríguez-Serradet, Erix Wiliam Hernández-Rodríguez, Julio Caballero, Fabrice Leclerc, Luis Alberto Montero-Cabrera
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics. Bioinform. 38 (23) (2022)
Daniel Platero-Rochart, Roy González-Alemán, Erix Wiliam Hernández-Rodríguez, Fabrice Leclerc, Julio Caballero, Luis Alberto Montero-Cabrera
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics. Bioinform. 38 (7) (2022)
Francisco Adasme-Carreño, Julio Caballero, Joel Ireta
PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations. J. Chem. Inf. Model. 61 (4) (2021)
Roy González-Alemán, Daniel Platero-Rochart, David Hernández-Castillo, Erix W. Hernández-Rodríguez, Julio Caballero, Fabrice Leclerc, Luis Alberto Montero-Cabrera
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics. Bioinform. 38 (1) (2021)
Florencia Klein, Daniela Cáceres, Mónica A. Carrasco, Juan Carlos Tapia, Julio Caballero, Jans H. Alzate-Morales, Sergio Pantano
Coarse-Grained Parameters for Divalent Cations within the SIRAH Force Field. J. Chem. Inf. Model. 60 (8) (2020)
Roy González-Alemán, David Hernández-Castillo, Alejandro Rodríguez-Serradet, Julio Caballero, Erix Wiliam Hernández-Rodríguez, Luis Alberto Montero-Cabrera
BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations. J. Chem. Inf. Model. 60 (2) (2020)
Roy González-Alemán, David Hernández-Castillo, Julio Caballero, Luis Alberto Montero-Cabrera
Quality Threshold Clustering of Molecular Dynamics: A Word of Caution. J. Chem. Inf. Model. 60 (2) (2020)
Erix Wiliam Hernández-Rodríguez, Andrés M. Escorcia, Marc van der Kamp, Ana Lilian Montero-Alejo, Julio Caballero
Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins. J. Comput. Chem. 41 (26) (2020)
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) (2020)
José Luis Velázquez-Libera, Fabio Durán-Verdugo, Alejandro Valdés-Jiménez, Gabriel Núñez-Vivanco, Julio Caballero
LigRMSD: a web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking. Bioinform. 36 (9) (2020)
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) (2018)
Julio Caballero, Alejandro Morales-Bayuelo, Carlos Navarro-Retamal
Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors. J. Comput. Aided Mol. Des. 32 (12) (2018)
Rajni K. Sharma, Marlene Espinoza-Moraga, Horacio Poblete, Ross G. Douglas, Edward D. Sturrock, Julio Caballero, Kelly Chibale
The Dynamic Nonprime Binding of Sampatrilat to the C-Domain of Angiotensin-Converting Enzyme. J. Chem. Inf. Model. 56 (12) (2016)
Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, Kelly Chibale
In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. J. Chem. Inf. Model. 53 (3) (2013)
Julio Caballero, Miguel Quiliano, Jans H. Alzate-Morales, Mirko Zimic, Eric Deharo
][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. 25 (4) (2011)
Julio Caballero, Jans H. Alzate-Morales, Ariela Vergara Jaque
Design: Study of Binding Mode of Diastereomer Compounds. J. Chem. Inf. Model. 51 (11) (2011)
Jans H. Alzate-Morales, Julio Caballero
Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM. J. Chem. Inf. Model. 50 (1) (2010)
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) (2010)
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) (2009)
Julio Caballero, Leyden Fernández, José Ignacio Abreu, Michael Fernández
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. 46 (3) (2006)
Michael Fernández, Alain Tundidor-Camba, Julio Caballero
]Pyrimidine Derivatives Using Artificial Neural Network Ensembles. J. Chem. Inf. Model. 45 (6) (2005)
Julio Caballero, Miguel Garriga, Michael Fernández
channel by some triarylmethanes using topological charge indexes descriptors. J. Comput. Aided Mol. Des. 19 (11) (2005)