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| Issue Date | Title | Author(s) |
| 12-Feb-2014 | 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies | Di Pietro, O.; Viayna, Elisabet; Vicente García, Esther; Bartolini, Manuela; Ramón, Rosario; Juárez-Jiménez, Jordi; Clos, Victòria; Pérez Fernández, Belén; Andrisano, Vincenza; Luque Garriga, F. Xavier; Lavilla Grífols, Rodolfo; Muñoz-Torrero López-Ibarra, Diego |
| 23-Oct-2018 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors | De Simone, Alessio; Georgiou, Charis; Ioannidis, Harris; Gupta, Arun A.; Juárez-Jiménez, Jordi; Doughty-Shenton, Dahlia; Blackburn, Elizabeth A.; Wear, Martin A.; Richards, Jonathan P.; Barlow, Paul N.; Carragher, Neil; Walkinshaw, Malcolm D.; Hulme, Alison N.; Michel, Julien |
| 17-Jan-2018 | A Multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitors | Granadino Roldán, José M.; Garzón, Andrés; Gómez Gutiérrez, Patrícia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime |
| 17-Sep-2019 | An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder | Majewski, Maciej; Ruiz Carmona, Sergio; Barril Alonso, Xavier |
| 19-Nov-2003 | Antagonistas de las integrinas GPIIb-IIIa y VLA-4 | Salas Solana, Jordi |
| 22-Sep-2017 | Aportación al estudio de permeación transdérmica de cetirizina | Ciurlizza Celis, Claudia Paola |
| 15-Jan-2023 | Applying AutoML techniques in drug discovery: systematic modelling of antimicrobial drug activity on a wide spectrum of pathogens | Torre García, Marcos de la |
| 4-May-2020 | Assessing the performance of mixed strategies to combine lipophilic molecular similarity and docking in virtual screening | Gibert, Enric; Vázquez Lozano, Javier; Deplano, Alessandro; Herrero, Albert; Herrero, Enric; Luque Garriga, F. Xavier |
| 13-Apr-2023 | Autochthonous peruvian natural plants as potential SARS-CoV-2 Mpro main protease inhibitors | Peralta Moreno, María Nuria; Anton-Muñoz, Vanessa; Ortega-Alarcon, David; Jimenez-Alesanco, Ana; Vega, Sonia; Abian, Olga; Velazquez-Campoy, Adrian; Thomson, Timothy M.; Granadino-Roldán, José Manuel; Machicado, Claudia; Rubio Martinez, Jaime |
| 22-May-2018 | Biophysical approaches for drug discovery (Seminaris Tecnològics 2018) | Galdeano Cantador, Carlos |
| 16-Feb-2024 | Chemical rewiring of ubiquitination by degraders and their selectivity routes | Whelan, Rory; Mayor Ruiz, Cristina |
| 29-Nov-2011 | Chemical screen identifies FDA-approved drugs and target pathways that induce precocious pancreatic endocrine differentiation | Rovira, Meritxell; Huang, Wei; Yusuff, Shamila; Shim, Joong Sup; Ferrante, Anthony A.; Liu, Jun O.; Parsons, Michael J. |
| 2-May-2013 | Combined use of NMR and computational tools for fragment based drug discovery targeting protein-protein interactions VEGF protein surface recognition as a case study | Goldflam, Michael |
| 22-Apr-2022 | Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase | Avila-Barrientos, Luis Pablo; Cofas-Vargas, Luis Fernando; Agüero-Chapin, Guillermin; Hernández-García, Enrique; Ruiz-Carmona, Sergio; Valdez-Cruz, Norma A.; Trujillo-Roldán, Mauricio; Weber, Joachim; Ruiz-Blanco, asser B.; Barril Alonso, Xavier; García-Hernández, Enrique |
| Jun-2024 | Computational Study of Membrane-inserted BAK | Sierra Rodríguez, Julián |
| Nov-2023 | Computer Aided Drug Design for emerging therapeutic modalities (Seminaris de Recerca 2024) | Juárez Jiménez, Jordi |
| 27-Nov-2017 | Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer's Disease Therapeutic Agents | Llorach Parés, Laura; Nonell Canals, Alfons; Sánchez Martínez, Melchor; Avila, Conxita |
| 21-May-2012 | Conformational variability: implications for biomolecular activity and in drug design | Bhattacharyya, Mousumi |
| 3-Mar-2023 | COUPY coumarins as privileged scaffolds for the development of novel targeted fluorophores and metalbased PDT anticancer agents | Rovira Vidal, Anna |
| 19-Jul-2019 | Desarrollos metodológicos en la exploración de la especie bioactiva en fármacos: Búsqueda de agentes antimaláricos | Viayna Gaza, Antonio |
