| Database fingerprint (DFP): an approach to represent molecular databases E Fernández-de Gortari, CR García-Jacas, K Martinez-Mayorga, ... Journal of cheminformatics 9, 1-9, 2017 | 95 | 2017 |
| Avances en el diseño de fármacos asistido por computadora JL Medina-Franco, E Fernández-de Gortari, JJ Naveja Educación química 26 (3), 180-186, 2015 | 52 | 2015 |
| Yes SIR! On the structure–inactivity relationships in drug discovery E López-López, E Fernández-de Gortari, JL Medina-Franco Drug Discovery Today 27 (8), 2353-2362, 2022 | 40 | 2022 |
| Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases E Fernández-de Gortari, JL Medina-Franco Rsc Advances 5 (106), 87465-87476, 2015 | 40 | 2015 |
| A chemical space odyssey of inhibitors of histone deacetylases and bromodomains FD Prieto-Martínez, E Fernández-de Gortari, O Méndez-Lucio, ... RSC advances 6 (61), 56225-56239, 2016 | 36 | 2016 |
| Rationality over fashion and hype in drug design JL Medina-Franco, K Martinez-Mayorga, E Fernández-de Gortari, ... F1000Research 10, 2021 | 33 | 2021 |
| Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds J Bajorath, AL Chávez-Hernández, M Duran-Frigola, ... Journal of Cheminformatics 14 (1), 82, 2022 | 26 | 2022 |
| Nanosafety: an evolving concept to bring the safest possible nanomaterials to society and environment F Lebre, N Chatterjee, S Costa, E Fernández-de-Gortari, C Lopes, ... Nanomaterials 12 (11), 1810, 2022 | 24 | 2022 |
| Structural basis for relief of phospholamban-mediated inhibition of the sarcoplasmic reticulum Ca2+-ATPase at saturating Ca2+ conditions E Fernández-de Gortari, LM Espinoza-Fonseca Journal of Biological Chemistry 293 (32), 12405-12414, 2018 | 24 | 2018 |
| Overview of computer-aided drug design for epigenetic targets R Aguayo-Ortiz, E Fernández-de Gortari Epi-informatics, 21-52, 2016 | 19 | 2016 |
| Design and synthesis of N‐benzoyl amino acid derivatives as DNA methylation inhibitors D Garella, S Atlante, E Borretto, M Cocco, M Giorgis, A Costale, ... Chemical Biology & Drug Design 88 (5), 664-676, 2016 | 17 | 2016 |
| Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers A Duenas-Gonzalez, JL Medina-Franco, A Chavez-Blanco, ... Expert Opinion on Pharmacotherapy 17 (3), 323-338, 2016 | 13 | 2016 |
| Nanomaterial exposure, extracellular vesicle biogenesis and adverse cellular outcomes: A scoping review TSM Lima, W Souza, LRO Geaquinto, PL Sanches, EL Stepień, ... Nanomaterials 12 (7), 1231, 2022 | 12 | 2022 |
| Preexisting domain motions underlie protonation-dependent structural transitions of the P-type Ca 2+-ATPase E Fernández-de Gortari, LM Espinoza-Fonseca Physical Chemistry Chemical Physics 19 (15), 10153-10162, 2017 | 12 | 2017 |
| Molecular modeling and chemoinformatics to advance the development of modulators of epigenetic targets: A focus on DNA methyltransferases FD Prieto-Martínez, A Peña-Castillo, O Méndez-Lucio, ... Advances in protein chemistry and structural biology 105, 1-26, 2016 | 11 | 2016 |
| Structural Basis for the Limited Response to Oxidative and Thiol-Conjugating Agents by Triosephosphate Isomerase From the Photosynthetic Bacteria Synechocystis E Castro-Torres, P Jimenez-Sandoval, E Fernández-de Gortari, ... Frontiers in Molecular Biosciences 5, 103, 2018 | 7 | 2018 |
| Inteligencia artificial en el diseño de fármacos: hacia la inteligencia aumentada FI Saldivar-González, E Fernández-de Gortari, JL Medina-Franco Educación química 34 (2), 17-25, 2023 | 6 | 2023 |
| An in silico pipeline for the discovery of multitarget ligands: a case study for epi-polypharmacology based on DNMT1/HDAC2 inhibition FD Prieto-Martínez, E Fernández-de Gortari, JL Medina-Franco, ... Artificial intelligence in the life sciences 1, 100008, 2021 | 6 | 2021 |
| A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data J Meneses, M González-Durruthy, E Fernandez-de-Gortari, AP Toropova, ... Particle and Fibre Toxicology 20 (1), 21, 2023 | 5 | 2023 |
| A novel machine learning-based screening identifies statins as inhibitors of the calcium pump SERCA C Cruz-Cortés, MA Velasco-Saavedra, E Fernández-de Gortari, ... Journal of Biological Chemistry 299 (5), 2023 | 4 | 2023 |
