| 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 | 176 | 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 | 107 | 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 | 104 | 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 | 103 | 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 | 101 | 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 | 98 | 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 | 92 | 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 | 85 | 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 | 85 | 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 | 84 | 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 | 80 | 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 | 76 | 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 | 75 | 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 | 73 | 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 | 71 | 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 | 70 | 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 | 70 | 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 | 69 | 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 | 67 | 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 | 65 | 2005 |
