| 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 | 520 | 2018 |
| 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 | 190 | 2016 |
| LigRMSD: A web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking JL Velázquez-Libera, F Durán-Verdugo, A Valdés-Jiménez, ... Bioinformatics 36 (9), 2912-2914, 2020 | 136 | 2020 |
| 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, 269-289, 2011 | 127 | 2011 |
| 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 | 123 | 2014 |
| ETNOMICOLOGIA PUREPECHA: EL CONOCIMIENTO Y USO DE LOS HONGOS EN LA CUENCADE LAGO DE PATZCUARO, MICHUACAN C Mapes MEXICO: SEP, 1981 | 113 | 1981 |
| 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 | 106 | 2005 |
| 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 | 105 | 2006 |
| 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 | 104 | 2012 |
| 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 | 102 | 2004 |
| 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 |
| Rosmarinic acid prevents fibrillization and diminishes vibrational modes associated to β sheet in tau protein linked to Alzheimer’s disease A Cornejo, F Aguilar Sandoval, L Caballero, L Machuca, P Muñoz, ... Journal of enzyme inhibition and medicinal chemistry 32 (1), 945-953, 2017 | 98 | 2017 |
| 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 | 96 | 2008 |
| 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 | 95 | 2015 |
| 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 | 93 | 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 | 92 | 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 | 87 | 2014 |
| 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, 168-181, 2006 | 85 | 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 | 81 | 2006 |
| 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 | 80 | 2012 |