Julio Caballero

ResearcherID Scopus Author ID Loop profile ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 32

Top Venues

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

Dalton transactions (Cambridge, England : 2003)

PloS one

Universidad de Talca

Universidad de Talca (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidad de Talca Dec 01 2013

Chile

Associate professor :: Centro de Bioinformática y Simulación Molecular

Universidad de Talca Apr 01 2012 - Nov 30 2013

Chile

Assistant professor :: Centro de Bioinformática y Simulación Molecular CBSM

Education History

Universidad de Talca Mar 01 2008 - Jan 05 2012

Chile

PHD :: Facultad de Ingeniería

Universidad de la Habana Sep 01 1996 - Jun 30 2001

Cuba

BSC :: Facultad de Química

Publications

César Barrales-Martínez, Claudio Illanes-Solis, Rocío Durán, Julio Caballero
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes. Dalton transactions (Cambridge, England : 2003) 53 (16) (2024)
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. Journal of chemical information and modeling 64 (10) (2024)
César Barrales-Martínez, Claudio Illanes-Solis, Rocío Durán, Julio Caballero
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes. Dalton transactions (Cambridge, England : 2003) (2024)
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. Journal of chemical information and modeling 64 (10) (2024)
César Barrales-Martínez, Claudio Illanes-Solis, Rocío Durán, Julio Caballero
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes. Dalton transactions (Cambridge, England : 2003) 53 (16) (2024)
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. Journal of chemical information and modeling (2024)
Roy González-Alemán, Daniel Platero-Rochart, Alejandro Rodríguez-Serradet, Erix W Hernández-Rodríguez, Julio Caballero, Fabrice Leclerc, Luis Montero-Cabrera
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics. Bioinformatics (Oxford, England) 38 (23) (2022)
Isabel Monte, Julio Caballero, Angel María Zamarreño, Gemma Fernández-Barbero, José M García-Mina, Roberto Solano
JAZ is essential for ligand specificity of the COI1/JAZ co-receptor. Proceedings of the National Academy of Sciences of the United States of America 119 (49) (2022)
Julio Caballero
Computational Modeling to Explain Why 5,5-Diarylpentadienamides are TRPV1 Antagonists. Molecules (Basel, Switzerland) 26 (6) (2021)
Francisco Adasme-Carreño, Julio Caballero, Joel Ireta
PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations. Journal of chemical information and modeling 61 (4) (2021)
Giacomo Rossino, Marta Rui, Pasquale Linciano, Daniela Rossi, Massimo Boiocchi, Marco Peviani, Elena Poggio, Daniela Curti, Dirk Schepmann, Bernhard Wünsch, Mariela González-Avendaño, Ariela Vergara-Jaque, Julio Caballero, Simona Collina
Bitopic Sigma 1 Receptor Modulators to Shed Light on Molecular Mechanisms Underpinning Ligand Binding and Receptor Oligomerization. Journal of medicinal chemistry 64 (20) (2021)
Julio Caballero
The latest automated docking technologies for novel drug discovery. Expert opinion on drug discovery 16 (6) (2020)
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. Journal of chemical information and modeling 60 (8) (2020)
Erix W Hernández-Rodríguez, Andrés M Escorcia, Marc W Van der Kamp, Ana L Montero-Alejo, Julio Caballero
Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins. Journal of computational chemistry 41 (26) (2020)
Julio Caballero
Considerations for Docking of Selective Angiotensin-Converting Enzyme Inhibitors. Molecules (Basel, Switzerland) 25 (2) (2020)
David Ramírez, Guierdy Concha, Bárbara Arévalo, Luis Prent-Peñaloza, Leandro Zúñiga, Aytuğ K Kiper, Susanne Rinné, Miguel Iván Reyes-Parada, Niels Decher, Wendy González, Julio Caballero
Discovery of Novel TASK-3 Channel Blockers Using a Pharmacophore-Based Virtual Screening. International journal of molecular sciences 20 (16) (2019)
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. Journal of chemical information and modeling 60 (2) (2019)
Roy González-Alemán, David Hernández-Castillo, Julio Caballero, Luis Alberto Montero-Cabrera
Quality Threshold Clustering of Molecular Dynamics: A Word of Caution. Journal of chemical information and modeling 60 (2) (2019)
Rodrigo Recabarren, Edison H Osorio, Julio Caballero, Iñaki Tuñón, Jans H Alzate-Morales
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM study. PloS one 14 (9) (2019)
Roy González-Alemán, David Hernández-Castillo, Alejandro Rodríguez-Serradet, Julio Caballero, Erix W Hernández-Rodríguez, Luis Alberto Montero-Cabrera
BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations. Journal of chemical information and modeling 60 (2) (2019)
Juliana Murillo-López, Kirill Zinovjev, Humberto Pereira, Andres Caniuguir, Richard Garratt, Jorge Babul, Rodrigo Recabarren, Jans Alzate-Morales, Julio Caballero, Iñaki Tuñón, Ricardo Cabrera
Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations. Chemical science 10 (10) (2019)
Luis Prent-Peñaloza, Alexander F de la Torre, José Luis Velázquez-Libera, Margarita Gutiérrez, Julio Caballero
Synthesis of diN-Substituted Glycyl-Phenylalanine Derivatives by Using Ugi Four Component Reaction and Their Potential as Acetylcholinesterase Inhibitors. Molecules (Basel, Switzerland) 24 (1) (2019)
José Luis Velázquez-Libera, Juliana Andrea Murillo-López, Alexander F de la Torre, Julio Caballero
Structural Requirements of N-alpha-Mercaptoacetyl Dipeptide (NAMdP) Inhibitors of Pseudomonas Aeruginosa Virulence Factor LasB: 3D-QSAR, Molecular Docking, and Interaction Fingerprint Studies. International journal of molecular sciences 20 (24) (2019)
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. Journal of computer-aided molecular design 32 (12) (2018)
José Luis Velázquez-Libera, Carlos Navarro-Retamal, Julio Caballero
Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies. International journal of molecular sciences 19 (10) (2018)
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. Journal of computational chemistry 39 (16) (2018)
Fabian Avila-Salas, Adolfo Marican, Jorge Villaseñor, Mauricio Arenas-Salinas, Yerko Argandoña, Julio Caballero, Esteban F Durán-Lara
In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent. Nanomaterials (Basel, Switzerland) 8 (1) (2018)
David Ramírez, Julio Caballero
Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data? Molecules (Basel, Switzerland) 23 (5) (2018)
Carlos Navarro-Retamal, Julio Caballero
Energetic differences between non-domain-swapped and domain-swapped chain connectivities in the K2P potassium channel TRAAK. RSC advances 8 (47) (2018)
Camila Muñoz-Gutiérrez, Daniela Cáceres-Rojas, Francisco Adasme-Carreño, Iván Palomo, Eduardo Fuentes, Julio Caballero
Docking and quantitative structure-activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors. PloS one 12 (12) (2017)
Carlos Navarro-Retamal, Julio Caballero
Flavonoids as CDK1 Inhibitors: Insights in Their Binding Orientations and Structure-Activity Relationship. PloS one 11 (8) (2016)
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. Journal of chemical information and modeling 56 (12) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Julio Caballero