Julio Caballero
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Is it reliable to take the molecular docking top scoring position as the best solution without considering available structural data?
D Ramírez, J Caballero
Molecules 23 (5), 1038, 2018
Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
M Fernandez, J Caballero, L Fernandez, A Sarai
Molecular diversity 15 (1), 269-289, 2011
QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase
PR Duchowicz, M Fernández, J Caballero, EA Castro, FM Fernández
Bioorganic & medicinal chemistry 14 (17), 5876-5889, 2006
Quantitative structure–activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds
M Fernández, J Caballero, AM Helguera, EA Castro, MP González
Bioorganic & medicinal chemistry 13 (9), 3269-3277, 2005
Immobilization of Adamantane-Modified Cytochrome c at Electrode Surfaces through Supramolecular Interactions
A Fragoso, J Caballero, E Almirall, R Villalonga, R Cao
Langmuir 18 (13), 5051-5054, 2002
Is it reliable to use common molecular docking methods for comparing the binding affinities of enantiomer pairs for their protein target?
D Ramírez, J Caballero
International journal of molecular sciences 17 (4), 525, 2016
Artificial neural networks from MATLAB® in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): Application to the prediction of the antagonistic activity …
J Caballero, M Fernández
Current topics in medicinal chemistry 8 (18), 1580-1605, 2008
Usefulness of procalcitonin clearance as a prognostic biomarker in septic shock. A prospective pilot study
JC Ruiz-Rodríguez, J Caballero, A Ruiz-Sanmartin, VJ Ribas, M Pérez, ...
Medicina Intensiva (English Edition) 36 (7), 475-480, 2012
Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks
J Caballero, M Fernández
Journal of Molecular Modeling 12 (2), 168-181, 2006
Chlorogenic acid inhibits human platelet activation and thrombus formation
E Fuentes, J Caballero, M Alarcon, A Rojas, I Palomo
PloS one 9 (3), e90699, 2014
Linear and nonlinear QSAR study of N-hydroxy-2-[(phenylsulfonyl) amino] acetamide derivatives as matrix metalloproteinase inhibitors
M Fernández, J Caballero, A Tundidor-Camba
Bioorganic & medicinal chemistry 14 (12), 4137-4150, 2006
Modeling of activity of cyclic urea HIV-1 protease inhibitors using regularized-artificial neural networks
M Fernández, J Caballero
Bioorganic & medicinal chemistry 14 (1), 280-294, 2006
Inhibition of platelet activation and thrombus formation by adenosine and inosine: studies on their relative contribution and molecular modeling
E Fuentes, J Pereira, D Mezzano, M Alarcón, J Caballero, I Palomo
PLoS One 9 (11), e112741, 2014
Study of interaction energies between the PAMAM dendrimer and nonsteroidal anti-inflammatory drug using a distributed computational strategy and experimental analysis by ESI-MS/MS
F Avila-Salas, C Sandoval, J Caballero, S Guiñez-Molinos, LS Santos, ...
The Journal of Physical Chemistry B 116 (7), 2031-2039, 2012
Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria
JJ Torres-Vega, A Vásquez-Espinal, J Caballero, ML Valenzuela, ...
Inorganic Chemistry 53 (7), 3579-3585, 2014
Study of the differential activity of thrombin inhibitors using docking, QSAR, molecular dynamics, and MM-GBSA
K Mena-Ulecia, W Tiznado, J Caballero
PLoS One 10 (11), e0142774, 2015
Ensayo de sistematización de la cerámica tardoantigua en la cuenca del Duero
HL Izquierdo, OV Zubizarreta, JC Arribas, AD Bolaños, JCM Tejeda, ...
Cerámicas tardorromanas y altomedievales en la Península Ibérica. Ruptura y …, 2004
Amino Acid Sequence Autocorrelation vectors and ensembles of Bayesian-Regularized Genetic Neural Networks for prediction of conformational stability of human lysozyme mutants
J Caballero, L Fernandez, JI Abreu, M Fernández
Journal of chemical information and modeling 46 (3), 1255-1268, 2006
Proteometric study of ghrelin receptor function variations upon mutations using amino acid sequence autocorrelation vectors and genetic algorithm-based least square support …
J Caballero, L Fernández, M Garriga, JI Abreu, S Collina, M Fernández
Journal of Molecular Graphics and Modelling 26 (1), 166-178, 2007
Modeling of cyclin-dependent kinase inhibition by 1 H-pyrazolo [3, 4-d] pyrimidine derivatives using artificial neural network ensembles
M Fernandez, A Tundidor-Camba, J Caballero
Journal of chemical information and modeling 45 (6), 1884-1895, 2005
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