Works matching AU Caballero, Julio

Results: 103

Advanced modeling of salt-inducible kinase (SIK) inhibitors incorporating protein flexibility through molecular dynamics and cross-docking.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-03699-w

By:

Valdés-Albuernes, Jorge Luis;
Díaz-Pico, Erbio;
Alfaro, Sergio;
Caballero, Julio

Publication type:

Article

Hernia gástrica atascada en ventana pericardio-peritoneal. Una rara complicación.

Published in:

Revista Argentina de Cirugía, 2020, v. 112, n. 2, p. 193, doi. 10.25132/raac.v112.n2.1438.es

By:

Acevedo, José A.;
Caballero, Julio G.;
Lencinas, Alejandra;
Córdoba, Martín;
Pesquín, Matías

Publication type:

Article

Endometriosis del apéndice cecal como causa de dolor abdominal crónico y masa apendicular.

Published in:

Revista Argentina de Cirugía, 2019, v. 111, n. 4, p. 298, doi. 10.25132/raac.v111.n4.1425es

By:

Acevedo, José A.;
Caballero, Julio G.;
Cabaleiro, Patricia M.;
Aiello, Cecilia S.;
Córdoba, Martín;
Pesquín, Matías

Publication type:

Article

In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent.

Published in:

Nanomaterials (2079-4991), 2018, v. 8, n. 1, p. 23, doi. 10.3390/nano8010023

By:

Avila-Salas, Fabian;
Marican, Adolfo;
Villaseñor, Jorge;
Arenas-Salinas, Mauricio;
Argandoña, Yerko;
Caballero, Julio;
Durán-Lara, Esteban F.

Publication type:

Article

Effects of Foot Structure Type on Core Stability in University Athletes.

Published in:

Life (2075-1729), 2023, v. 13, n. 7, p. 1487, doi. 10.3390/life13071487

By:

Moreno-Barriga, Orlando Santiago;
Romero-Morales, Carlos;
Becerro-de-Bengoa-Vallejo, Ricardo;
Losa-Iglesias, Marta Elena;
Gómez-Salgado, Juan;
Caballero-López, Julio;
Vidal-Valverde, Liz Carol;
López-López, Daniel

Publication type:

Article

Structural and biochemical approaches uncover multiple evolutionary trajectories of plant quinate dehydrogenases.

Published in:

Plant Journal, 2018, v. 95, n. 5, p. 812, doi. 10.1111/tpj.13989

By:

Gritsunov, Artyom;
Peek, James;
Diaz Caballero, Julio;
Guttman, David;
Christendat, Dinesh

Publication type:

Article

1,3-Dipolar Cycloaddition of Nitrile Imines with Cyclic α-β-Unsaturated Ketones: A Regiochemical Route to Ring-Fused Pyrazoles.

Published in:

European Journal of Organic Chemistry, 2011, v. 2011, n. 25, p. 4806, doi. 10.1002/ejoc.201100558

By:

Chandanshive, Jay Zumbar;
Bonini, Bianca Flavia;
Tiznado, William;
Escobar, Carlos A.;
Caballero, Julio;
Femoni, Cristina;
Fochi, Mariafrancesca;
Comes Franchini, Mauro

Publication type:

Article

Continental and Antarctic Lichens: isolation, identification and molecular modeling of the depside tenuiorin from the Antarctic lichen Umbilicaria antarctica as tau protein inhibitor.

Published in:

Natural Product Research, 2020, v. 34, n. 5, p. 646, doi. 10.1080/14786419.2018.1492576

By:

Salgado, Francisco;
Caballero, Julio;
Vargas, Reinaldo;
Cornejo, Alberto;
Areche, Carlos

Publication type:

Article

K channels in plants and animals.

Published in:

Pflügers Archiv: European Journal of Physiology, 2015, v. 467, n. 5, p. 1091, doi. 10.1007/s00424-014-1638-4

By:

González, Wendy;
Valdebenito, Braulio;
Caballero, Julio;
Riadi, Gonzalo;
Riedelsberger, Janin;
Martínez, Gonzalo;
Ramírez, David;
Zúñiga, Leandro;
Sepúlveda, Francisco;
Dreyer, Ingo;
Janta, Michael;
Becker, Dirk

Publication type:

Article

Computational Studies of Snake Venom Toxins.

Published in:

Toxins, 2018, v. 10, n. 1, p. 8, doi. 10.3390/toxins10010008

By:

Ojeda, Paola G.;
Ramírez, David;
Alzate-Morales, Jans;
Caballero, Julio;
Kaas, Quentin;
González, Wendy

Publication type:

Article

Inhibition of Platelet Activation and Thrombus Formation by Adenosine and Inosine: Studies on Their Relative Contribution and Molecular Modeling.

Published in:

PLoS ONE, 2014, v. 9, n. 11, p. 1, doi. 10.1371/journal.pone.0112741

By:

Fuentes, Eduardo;
Pereira, Jaime;
Mezzano, Diego;
Alarcón, Marcelo;
Caballero, Julio;
Palomo, Iván

Publication type:

Article

Study of the Affinity between the Protein Kinase PKA and Peptide Substrates Derived from Kemptide Using Molecular Dynamics Simulations and MM/GBSA.

Published in:

PLoS ONE, 2014, v. 9, n. 10, p. 1, doi. 10.1371/journal.pone.0109639

By:

Mena-Ulecia, Karel;
Vergara-Jaque, Ariela;
Poblete, Horacio;
Tiznado, William;
Caballero, Julio

Publication type:

Article

Insights into the Interactions between Maleimide Derivates and GSK3β Combining Molecular Docking and QSAR.

Published in:

PLoS ONE, 2014, v. 9, n. 7, p. 1, doi. 10.1371/journal.pone.0102212

By:

Quesada-Romero, Luisa;
Mena-Ulecia, Karel;
Tiznado, William;
Caballero, Julio

Publication type:

Article

Chlorogenic Acid Inhibits Human Platelet Activation and Thrombus Formation.

Published in:

PLoS ONE, 2014, v. 9, n. 3, p. 1, doi. 10.1371/journal.pone.0090699

By:

Fuentes, Eduardo;
Caballero, Julio;
Alarcón, Marcelo;
Rojas, Armando;
Palomo, Iván

Publication type:

Article

Analysis of the Cystic Fibrosis Lung Microbiota via Serial Illumina Sequencing of Bacterial 16S rRNA Hypervariable.

Published in:

PLoS ONE, 2012, v. 7, n. 10, p. 1, doi. 10.1371/journal.pone.0045791

By:

Maughan, Heather;
Wang, Pauline W.;
Caballero, Julio Diaz;
Fung, Pauline;
Yunchen Gong;
Donaldson, Sylva L.;
Lijie Yuan;
Keshavjee, Shaf;
Yu Zhang;
Yau, Yvonne C. W.;
Waters, Valerie J.;
Tullis, D. Elizabeth;
Hwang, David M.;
Guttman, David S.

Publication type:

Article

1-Benzyl-1,2,3,4-Tetrahydro-β-Carboline as Channel Blocker of N-Methyl- d-Aspartate Receptors.

Published in:

Chemical Biology & Drug Design, 2012, v. 79, n. 4, p. 594, doi. 10.1111/j.1747-0285.2012.01317.x

By:

Espinoza-Moraga, Marlene;
Caballero, Julio;
Gaube, Friedemann;
Winckler, Thomas;
Santos, Leonardo S.

Publication type:

Article

Binding Studies and Quantitative Structure-Activity Relationship of 3-Amino-1 H-Indazoles as Inhibitors of GSK3β.

Published in:

Chemical Biology & Drug Design, 2011, v. 78, n. 4, p. 631, doi. 10.1111/j.1747-0285.2011.01186.x

By:

Caballero, Julio;
Zilocchi, Szymon;
Tiznado, William;
Collina, Simona;
Rossi, Daniela

Publication type:

Article

Quantitative Structure-Activity Relationship of Organosulphur Compounds as Soybean 15-Lipoxygenase Inhibitors Using CoMFA and CoMSIA.

Published in:

Chemical Biology & Drug Design, 2010, v. 76, n. 6, p. 511, doi. 10.1111/j.1747-0285.2010.01039.x

By:

Caballero, Julio;
Fernández, Michael;
Coll, Deysma

Publication type:

Article

Docking and Quantitative Structure–Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 5, p. 360, doi. 10.1111/j.1747-0285.2008.00716.x

By:

Lagos, Carlos F.;
Caballero, Julio;
Gonzalez-Nilo, Fernando D.;
David Pessoa-Mahana, Carlos;
Perez-Acle, Tomas

Publication type:

Article

Proteochemometric Modeling of the Inhibition Complexes of Matrix Metalloproteinases with N-Hydroxy-2-[(Phenylsulfonyl)Amino]Acetamide Derivatives Using Topological Autocorrelation Interaction Matrix and Model Ensemble Averaging.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 1, p. 65, doi. 10.1111/j.1747-0285.2008.00675.x

By:

Fernández, Michael;
Fernández, Leyden;
Caballero, Julio;
Abreu, José Ignacio;
Reyes, Grethel

Publication type:

Article

Quantitative Structure–Activity Relationship Modeling of Growth Hormone Secretagogues Agonist Activity of some Tetrahydroisoquinoline 1-Carboxamides.

Published in:

Chemical Biology & Drug Design, 2007, v. 69, n. 1, p. 48, doi. 10.1111/j.1747-0285.2007.00467.x

By:

Caballero, Julio;
Zampini, Fabio M.;
Collina, Simona;
Fernández, Michael

Publication type:

Article

Ensembles of Bayesian-regularized Genetic Neural Networks for Modeling of Acetylcholinesterase Inhibition by Huprines.

Published in:

Chemical Biology & Drug Design, 2006, v. 68, n. 4, p. 201, doi. 10.1111/j.1747-0285.2006.00435.x

By:

Fernández, Michael;
Caballero, Julio

Publication type:

Article

Effects of β-cyclodextrindextran polymer on stability properties of trypsin.

Published in:

Biotechnology & Bioengineering, 2003, v. 83, n. 6, p. 743

By:

Michael Fernández;
Maria L. Villalonga;
Julio Caballero;
Alex Fragoso;
Roberto Cao;
Reynaldo Villalonga

Publication type:

Article

Mixed strain pathogen populations accelerate the evolution of antibiotic resistance in patients.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39416-2

By:

Diaz Caballero, Julio;
Wheatley, Rachel M.;
Kapel, Natalia;
López-Causapé, Carla;
Van der Schalk, Thomas;
Quinn, Angus;
Shaw, Liam P.;
Ogunlana, Lois;
Recanatini, Claudia;
Xavier, Basil Britto;
Timbermont, Leen;
Kluytmans, Jan;
Ruzin, Alexey;
Esser, Mark;
Malhotra-Kumar, Surbhi;
Oliver, Antonio;
MacLean, R. Craig

Publication type:

Article

Gut to lung translocation and antibiotic mediated selection shape the dynamics of Pseudomonas aeruginosa in an ICU patient.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-34101-2

By:

Wheatley, Rachel M.;
Caballero, Julio Diaz;
van der Schalk, Thomas E.;
De Winter, Fien H. R.;
Shaw, Liam P.;
Kapel, Natalia;
Recanatini, Claudia;
Timbermont, Leen;
Kluytmans, Jan;
Esser, Mark;
Lacoma, Alicia;
Prat-Aymerich, Cristina;
Oliver, Antonio;
Kumar-Singh, Samir;
Malhotra-Kumar, Surbhi;
Craig MacLean, R.

Publication type:

Article

Adenosine A<sub>2A</sub> receptor agonists with potent antiplatelet activity.

Published in:

Platelets, 2018, v. 29, n. 3, p. 292, doi. 10.1080/09537104.2017.1306043

By:

Fuentes, Eduardo;
Fuentes, Manuel;
Caballero, Julio;
Palomo, Iván;
Hinz, Sonja;
El-Tayeb, Ali;
Müller, Christa E.

Publication type:

Article

Shannon entropy variation as a global indicator of electron density contraction at interatomic regions in chemical reactions.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 11, p. 1, doi. 10.1007/s00894-024-06171-0

By:

Barrales-Martínez, César;
Durán, Rocío;
Caballero, Julio

Publication type:

Article

Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors.

Published in:

Journal of Molecular Modeling, 2015, v. 21, n. 6, p. 1, doi. 10.1007/s00894-015-2690-5

By:

Morales-Bayuelo, Alejandro;
Matute, Ricardo A.;
Caballero, Julio

Publication type:

Article

New insights into steric and electronic effects in a series of phosphine ligands from the perspective of local quantum similarity using the Fukui function.

Published in:

Journal of Molecular Modeling, 2015, v. 21, n. 3, p. 1, doi. 10.1007/s00894-015-2600-x

By:

Morales-Bayuelo, Alejandro;
Caballero, Julio

Publication type:

Article

Microbiome networks and change-point analysis reveal key community changes associated with cystic fibrosis pulmonary exacerbations.

Published in:

NPJ Biofilms & Microbiomes, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41522-018-0077-y

By:

Layeghifard, Mehdi;
Li, Hannah;
Wang, Pauline W.;
Donaldson, Sylva L.;
Coburn, Bryan;
Clark, Shawn T.;
Caballero, Julio Diaz;
Zhang, Yu;
Tullis, D. Elizabeth;
Yau, Yvonne C. W.;
Waters, Valerie;
Hwang, David M.;
Guttman, David S.

Publication type:

Article

A new era for the design of TRPV1 antagonists and agonists with the use of structural information and molecular docking of capsaicin-like compounds.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2022, v. 37, n. 1, p. 2169, doi. 10.1080/14756366.2022.2110089

By:

Caballero, Julio

Publication type:

Article

Dammarane triterpenes targeting α-synuclein: biological activity and evaluation of binding sites by molecular docking.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2021, v. 36, n. 1, p. 154, doi. 10.1080/14756366.2020.1851216

By:

Cornejo, Alberto;
Caballero, Julio;
Simirgiotis, Mario;
Torres, Vanessa;
Sánchez, Luisa;
Díaz, Nicolás;
Guimaraes, Marcela;
Hernández, Marcos;
Areche, Carlos;
Alfaro, Sergio;
Caballero, Leonardo;
Melo, Francisco

Publication type:

Article

Rosmarinic acid prevents fibrillization and diminishes vibrational modes associated to β sheet in tau protein linked to Alzheimer’s disease.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2017, v. 32, n. 1, p. 945, doi. 10.1080/14756366.2017.1347783

By:

Cornejo, Alberto;
Aguilar Sandoval, Felipe;
Caballero, Leonardo;
Machuca, Luis;
Muñoz, Patricio;
Caballero, Julio;
Perry, George;
Ardiles, Alejandro;
Areche, Carlos;
Melo, Francisco

Publication type:

Article

Modeling of acetylcholinesterase inhibition by tacrine analogues using Bayesian-regularized Genetic Neural Networks and ensemble averaging.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2006, v. 21, n. 6, p. 647, doi. 10.1080/14756360600862366

By:

Fernández, Michael;
Carreiras, M Carmo;
Marco, José L;
Caballero, Julio

Publication type:

Article

The receptor-like pseudokinase MRH1 interacts with the voltage-gated potassium channel AKT2.

Published in:

Scientific Reports, 2017, p. 44611, doi. 10.1038/srep44611

By:

Sklodowski, Kamil;
Riedelsberger, Janin;
Raddatz, Natalia;
Riadi, Gonzalo;
Caballero, Julio;
Chérel, Isabelle;
Schulze, Waltraud;
Graf, Alexander;
Dreyer, Ingo

Publication type:

Article

Phenotypic diversity within a Pseudomonas aeruginosa population infecting an adult with cystic fibrosis.

Published in:

Scientific Reports, 2015, p. 10932, doi. 10.1038/srep10932

By:

Clark, Shawn T.;
Diaz Caballero, Julio;
Cheang, Mary;
Coburn, Bryan;
Wang, Pauline W.;
Donaldson, Sylva L.;
Zhang, Yu;
Liu, Mingyao;
Keshavjee, Shaf;
Yau, Yvonne C.W.;
Waters, Valerie J.;
Elizabeth Tullis, D.;
Guttman, David S.;
Hwang, David M.

Publication type:

Article

Lung microbiota across age and disease stage in cystic fibrosis.

Published in:

Scientific Reports, 2015, p. 10241, doi. 10.1038/srep10241

By:

Coburn, Bryan;
Wang, Pauline W.;
Diaz Caballero, Julio;
Clark, Shawn T.;
Brahma, Vijaya;
Donaldson, Sylva;
Zhang, Yu;
Surendra, Anu;
Gong, Yunchen;
Elizabeth Tullis, D.;
Yau, Yvonne C. W.;
Waters, Valerie J.;
Hwang, David M.;
Guttman, David S.

Publication type:

Article

Front Cover: Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations. (ChemCatChem 17/2023).

Published in:

ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202301008

By:

Velázquez‐Libera, José Luis;
Caballero, Julio;
Alzate‐Morales, Jans;
Ruiz‐Pernía, J. Javier;
Tuñón, Iñaki

Publication type:

Article

Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations.

Published in:

ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202300344

By:

Velázquez‐Libera, José Luis;
Caballero, Julio;
Alzate‐Morales, Jans;
Ruiz‐Pernía, J. Javier;
Tuñón, Iñaki

Publication type:

Article

Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors.

Published in:

PLoS ONE, 2017, v. 12, n. 12, p. 1, doi. 10.1371/journal.pone.0189213

By:

Muñoz-Gutiérrez, Camila;
Cáceres-Rojas, Daniela;
Adasme-Carreño, Francisco;
Palomo, Iván;
Fuentes, Eduardo;
Caballero, Julio

Publication type:

Article

The latest automated docking technologies for novel drug discovery.

Published in:

Expert Opinion on Drug Discovery, 2021, v. 16, n. 6, p. 625, doi. 10.1080/17460441.2021.1858793

By:

Caballero, Julio

Publication type:

Article

Classification of conformational stability of protein mutants from 3D pseudo-folding graph representation of protein sequences using support vector machines.

Published in:

Proteins, 2008, v. 70, n. 1, p. 167, doi. 10.1002/prot.21524

By:

Fernández, Michael;
Caballero, Julio;
Fernández, Leyden;
Abreu, Jose Ignacio;
Acosta, Gianco

Publication type:

Article

Amino acid sequence autocorrelation vectors and bayesian-regularized genetic neural networks for modeling protein conformational stability: Gene V protein mutants.

Published in:

Proteins, 2007, v. 67, n. 4, p. 834, doi. 10.1002/prot.21349

By:

Fernández, Leyden;
Caballero, Julio;
Abreu, José Ignacio;
Fernández, Michael

Publication type:

Article

A genome-wide association analysis reveals a potential role for recombination in the evolution of antimicrobial resistance in Burkholderia multivorans.

Published in:

PLoS Pathogens, 2018, v. 14, n. 12, p. 1, doi. 10.1371/journal.ppat.1007453

By:

Diaz Caballero, Julio;
Guttman, David S.;
Clark, Shawn T.;
Hwang, David M.;
Yau, Yvonne C. W.;
Wang, Pauline W.;
Donaldson, Sylva L.;
Coburn, Bryan;
Tullis, D. Elizabeth;
Waters, Valerie J.

Publication type:

Article

Improved pharmacological properties for superoxide dismutase modified with mannan.

Published in:

Biotechnology & Applied Biochemistry, 2006, v. 044, n. 3, p. 159

By:

Aymara Valdivia;
Yunel Pérez;
Amalia Dominguez;
Julio Caballero;
Yunior Hernández;
Reynaldo Villalonga

Publication type:

Article

Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as σ 1 ligands.

Published in:

Molecular Simulation, 2012, v. 38, n. 3, p. 227, doi. 10.1080/08927022.2011.614243

By:

Caballero, Julio;
Zilocchi, Szymon;
Tiznado, William;
Rossi, Daniela;
Collina, Simona

Publication type:

Article

Proteometric modelling of protein conformational stability using amino acid sequence autocorrelation vectors and genetic algorithm-optimised support vector machines.

Published in:

Molecular Simulation, 2008, v. 34, n. 9, p. 857, doi. 10.1080/08927020802301920

By:

Fernández, Michael;
Fernández, Leyden;
Sanchez, Pedro;
Caballero, Julio;
Abreu, Jose Ignacio

Publication type:

Article

Comparative modeling of the conformational stability of chymotrypsin inhibitor 2 protein mutants using amino acid sequence autocorrelation (AASA) and amino acid 3D autocorrelation (AA3DA) vectors and ensembles of Bayesian-regularized genetic neural networks

Published in:

Molecular Simulation, 2007, v. 33, n. 13, p. 1045, doi. 10.1080/08927020701564479

By:

Fernández, Michael;
Abreu, José Ignacio;
Caballero, Julio;
Garriga, Miguel;
Fernández, Leyden

Publication type:

Article

Author Correction: Functional cooperativity between the trigger factor chaperone and the ClpXP proteolytic complex.

Published in:

2021

By:

Rizzolo, Kamran;
Yu, Angela Yeou Hsiung;
Ologbenla, Adedeji;
Kim, Sa Rang;
Zhu, Haojie;
Ishimori, Koichiro;
Thibault, Guillaume;
Leung, Elisa;
Zhang, Yi Wen;
Teng, Mona;
Haniszewski, Marta;
Miah, Noha;
Phanse, Sadhna;
Minic, Zoran;
Lee, Sukyeong;
Caballero, Julio Diaz;
Babu, Mohan;
Tsai, Francis T. F.;
Saio, Tomohide;
Houry, Walid A.

Publication type:

Correction Notice

Rapid evolution and host immunity drive the rise and fall of carbapenem resistance during an acute Pseudomonas aeruginosa infection.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-22814-9

By:

Wheatley, Rachel;
Diaz Caballero, Julio;
Kapel, Natalia;
de Winter, Fien H. R.;
Jangir, Pramod;
Quinn, Angus;
del Barrio-Tofiño, Ester;
López-Causapé, Carla;
Hedge, Jessica;
Torrens, Gabriel;
Van der Schalk, Thomas;
Xavier, Basil Britto;
Fernández-Cuenca, Felipe;
Arenzana, Angel;
Recanatini, Claudia;
Timbermont, Leen;
Sifakis, Frangiscos;
Ruzin, Alexey;
Ali, Omar;
Lammens, Christine

Publication type:

Article