| Merging ligand-based and structure-based methods in drug discovery: An overview of combined virtual screening approaches J Vázquez, M López, E Gibert, E Herrero, FJ Luque Molecules 25 (20), 4723, 2020 | 185 | 2020 |
| Lipophilicity in drug design: An overview of lipophilicity descriptors in 3D-QSAR studies T Ginex, J Vazquez, E Gilbert, E Herrero, FJ Luque Future medicinal chemistry 11 (10), 1177-1193, 2019 | 51 | 2019 |
| Design, synthesis and biological evaluation of N-methyl-N-[(1, 2, 3-triazol-4-yl) alkyl] propargylamines as novel monoamine oxidase B inhibitors O Di Pietro, N Alencar, G Esteban, E Viayna, N Szałaj, J Vázquez, ... Bioorganic & medicinal chemistry 24 (20), 4835-4854, 2016 | 41 | 2016 |
| Extracción de celulosa y obtención de nanocelulosa a partir de fibra de sisal-caracterización J Morán, JA Vazquez Asociación Argentina de Materiales 1, 2-7, 2008 | 38 | 2008 |
| Development and validation of molecular overlays derived from three-dimensional hydrophobic similarity with PharmScreen J Vazquez, A Deplano, A Herrero, T Ginex, E Gibert, O Rabal, J Oyarzabal, ... Journal of Chemical Information and Modeling 58 (8), 1596-1609, 2018 | 20 | 2018 |
| Assessing the performance of mixed strategies to combine lipophilic molecular similarity and docking in virtual screening J Vazquez, A Deplano, A Herrero, E Gibert, E Herrero, FJ Luque Journal of Chemical Information and Modeling 60 (9), 4231-4245, 2020 | 11 | 2020 |
| Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design T Ginex, J Vázquez, C Estarellas, FJ Luque Current Opinion in Structural Biology 87, 102870, 2024 | 10 | 2024 |
| On the relevance of query definition in the performance of 3D ligand-based virtual screening J Vázquez, R García, P Llinares, FJ Luque, E Herrero Journal of Computer-Aided Molecular Design 38 (1), 18, 2024 | 5 | 2024 |
| Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits J Vázquez, T Ginex, A Herrero, C Morisseau, BD Hammock, FJ Luque Journal of chemical information and modeling 63 (10), 3209-3225, 2023 | 5 | 2023 |
| Searching for selective scaffolds against Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase A Viayna Gaza, D Vílchez Puyo, J Vázquez, S Pérez-Benavente, ... MDPI Proceedings, 2019, vol. 22, num. 1, p. 28, 2019 | 1 | 2019 |
| Field-based virtual screening: New trends to increase the chemical diversity of your leads A Deplano, J Vázquez, A Herrero, E Gibert, E Herrero, FJ Luque MDPI AG, 2018 | | 2018 |
| Onthe use (QM) IEF/PMC-MST-derived hydrophobic contributions as physicochemical descriptors in 3D-QSAR: the PHARMSQSARTM approach O Rey, T Ginex, J Vazquez, A Deplano, A Herrero, E Gibert, E Herrero, ... 22th Euro QSAR abstract book, 157, 2018 | | 2018 |
| Hydrophobic similarity between molecules: Application to three-dimensional molecular overlays with PharmScreen V Javier, A Deplano, H Albert, G Enric, G Tiziana, R Obdulia, O Julen, ... Abstract book 255th ACS National Meeting/2018, 2018 | | 2018 |
Javier LuqueUniversity of Barcelona - Institut of BiomedicineVerified email at ub.edu