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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
1652018
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
1082011
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
1042006
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
1032005
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
1012002
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
982016
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
922008
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
852012
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
852006
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
842014
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
802006
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
762006
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
742014
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
722012
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
712014
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
692015
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
692006
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
692004
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
672007
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
652005
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Articles 1–20