| Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling AF Yepes-Pérez, O Herrera-Calderon, JE Sánchez-Aparicio, ... Evidence-Based Complementary and Alternative Medicine 2020, 2020 | 34 | 2020 |
| BioMetAll: identifying metal-binding sites in proteins from backbone preorganization JE Sánchez-Aparicio, L Tiessler-Sala, L Velasco-Carneros, ... Journal of Chemical Information and Modeling 61 (1), 311-323, 2020 | 27 | 2020 |
| Synthesis of polyfluoroalkyl sp2-iminosugar glycolipids and evaluation of their immunomodulatory properties towards anti-tumor, anti-leishmanial and anti-inflammatory therapies EM Sanchez-Fernandez, MI García-Moreno, AI Arroba, ... European Journal of Medicinal Chemistry 182, 111604, 2019 | 23 | 2019 |
| Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site VA Streltsov, S Luang, A Peisley, JN Varghese, JR Ketudat Cairns, S Fort, ... Nature communications 10 (1), 2222, 2019 | 23 | 2019 |
| GPathfinder: identification of ligand-binding pathways by a multi-objective genetic algorithm JE Sánchez-Aparicio, G Sciortino, DV Herrmannsdoerfer, PO Chueca, ... International journal of molecular sciences 20 (13), 3155, 2019 | 17 | 2019 |
| Computational insight into the interaction of oxaliplatin with insulin G Sciortino, JE Sánchez-Aparicio, J Rodríguez-Guerra Pedregal, ... Metallomics 11 (4), 765-773, 2019 | 12 | 2019 |
| GARLEEK: Adding an extra flavor to ONIOM JRG Pedregal, I Funes‐Ardoiz, G Sciortino, JE Sánchez‐Aparicio, ... Journal of Computational Chemistry 40 (2), 381-386, 2019 | 10 | 2019 |
| Hybrid cyclobutane/proline-containing peptidomimetics: The conformational constraint influences their cell-penetration ability O Illa, J Ospina, JE Sánchez-Aparicio, X Pulido, MÁ Abengozar, ... International journal of molecular sciences 22 (10), 5092, 2021 | 5 | 2021 |
| Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes A Krzemińska, JE Sánchez-Aparicio, JD Maréchal, A Paneth, P Paneth International journal of molecular sciences 23 (14), 7705, 2022 | 2 | 2022 |
| Successes and challenges in multiscale modelling of artificial metalloenzymes: the case study of POP-Rh 2 cyclopropanase JE Sánchez-Aparicio, G Sciortino, E Mates-Torres, A Lledós, JD Maréchal Faraday Discussions 234, 349-366, 2022 | 2 | 2022 |
| Development and application of computational tools for the coupled exploration of chemical and biological spaces JE Sánchez Aparicio Universitat Autònoma de Barcelona, 2022 | | 2022 |
| sp2-Iminosugar glycolipid mimetics as immunoregulatory agents EM Sánchez-Fernández, MI García-Moreno, AI Arroba, ... | | 2020 |
| Research Article Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CL pro of SARS-CoV-2 by Molecular Modeling AF Yepes-Pérez, O Herrera-Calderon, JE Sánchez-Aparicio, ... | | 2020 |
| Implementació d'una solució aproximada per al problema del viatjant generalitzat-TSPg JE Sánchez-Aparicio, J Borges | | 2016 |
