Molecular fingerprint similarity search in virtual screening A Cereto-Massagué, MJ Ojeda, C Valls, M Mulero, S Garcia-Vallvé, ... Methods 71, 58-63, 2015 | 746 | 2015 |
The light and dark sides of virtual screening: what is there to know? A Gimeno, MJ Ojeda-Montes, S Tomás-Hernández, A Cereto-Massagué, ... International journal of molecular sciences 20 (6), 1375, 2019 | 220 | 2019 |
DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets A Cereto-Massagué, L Guasch, C Valls, M Mulero, G Pujadas, ... Bioinformatics 28 (12), 1661-1662, 2012 | 194 | 2012 |
Prediction of novel inhibitors of the main protease (M-pro) of SARS-CoV-2 through consensus docking and drug reposition A Gimeno, J Mestres-Truyol, MJ Ojeda-Montes, G Macip, ... International journal of molecular sciences 21 (11), 3793, 2020 | 157 | 2020 |
Tools for in silico target fishing A Cereto-Massagué, MJ Ojeda, C Valls, M Mulero, G Pujadas, ... Methods 71, 98-103, 2015 | 148 | 2015 |
Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays L Guasch, MJ Ojeda, N González-Abuín, E Sala, A Cereto-Massagué, ... Public Library of Science 7 (9), e44971, 2012 | 53 | 2012 |
Haste makes waste: a critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition G Macip, P Garcia‐Segura, J Mestres‐Truyol, B Saldivar‐Espinoza, ... Medicinal Research Reviews 42 (2), 744-769, 2022 | 52 | 2022 |
The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites A Cereto-Massagué, MJ Ojeda, RP Joosten, C Valls, M Mulero, ... Journal of Cheminformatics 5, 1-9, 2013 | 45 | 2013 |
Activity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening MJ Ojeda‐Montes, A Gimeno, S Tomas‐Hernández, A Cereto‐Massagué, ... Medicinal Research Reviews 38 (6), 1874-1915, 2018 | 35 | 2018 |
Ephedrine as a lead compound for the development of new DPP-IV inhibitors MJ Ojeda-Montes, A Ardid-Ruiz, S Tomás-Hernández, A Gimeno, ... Future Medicinal Chemistry 9 (18), 2129-2146, 2017 | 21 | 2017 |
DPP-IV, an important target for antidiabetic functional food design MJ Ojeda, A Cereto-Massagué, C Valls, G Pujadas, G Pujadas Foodinformatics: Applications of Chemical Information to Food Chemistry, 177-212, 2014 | 12 | 2014 |
The mutational landscape of SARS-CoV-2 B Saldivar-Espinoza, P Garcia-Segura, N Novau-Ferré, G Macip, ... International Journal of Molecular Sciences 24 (10), 9072, 2023 | 11 | 2023 |
Machine learning-based retention time prediction of trimethylsilyl derivatives of metabolites SM de Cripan, A Cereto-Massagué, P Herrero, A Barcaru, N Canela, ... Biomedicines 10 (4), 879, 2022 | 10 | 2022 |
Anti-inflammatory and Proapoptotic Properties of the Natural Compound o-Orsellinaldehyde S Tomas-Hernandez, S Garcia-Vallvé, G Pujadas, C Valls, ... Journal of agricultural and food chemistry 66 (42), 10952-10963, 2018 | 10 | 2018 |
Prediction of recurrent mutations in SARS-COV-2 using artificial neural networks B Saldivar-Espinoza, G Macip, P Garcia-Segura, J Mestres-Truyol, ... International Journal of Molecular Sciences 23 (23), 14683, 2022 | 7 | 2022 |
Multiomic approach to analyze infant gut microbiota: Experimental and analytical method optimization H Torrell, A Cereto-Massagué, P Kazakova, L García, H Palacios, ... Biomolecules 11 (7), 999, 2021 | 7 | 2021 |
Combined Ligand‐and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors A Gimeno, A Ardid‐Ruiz, MJ Ojeda‐Montes, S Tomás‐Hernández, ... ChemMedChem 13 (18), 1939-1948, 2018 | 5 | 2018 |
Comparison of metaproteomics workflows for deciphering the functions of gut microbiota in an animal model of obesity M Guirro, P Herrero, A Costa, A Gual-Grau, A Ceretó-Massagué, ... Journal of proteomics 209, 103489, 2019 | 3 | 2019 |
Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors MJ Ojeda-Montes, À Casanova-Martí, A Gimeno, S Tomás-Hernández, ... Future Medicinal Chemistry 11 (12), 1387-1401, 2019 | 3 | 2019 |
Comparison of Nanopore and Synthesis-Based Next-Generation Sequencing Platforms for SARS-CoV-2 Variant Monitoring in Wastewater D Garcia-Pedemonte, A Carcereny, J Gregori, J Quer, D Garcia-Cehic, ... International Journal of Molecular Sciences 24 (24), 17184, 2023 | 1 | 2023 |