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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 26-Apr-2022 | Development of an Automatic Pipeline for Participation in the CELPP Challenge | Miñarro-Lleonar, Marina; Ruiz-Carmona, Sergio; Alvarez-Garcia, Daniel; Schmidtke, Peter; Barril Alonso, Xavier |
| 27-Mar-2014 | Synthesis and multi-target biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents | Viayna, Elisabet; Sola, Irene; Bartolini, Manuela; De Simone, Angela; Tapia-Rojas, Cheril; Serrano, Felipe G.; Sabaté Lagunas, Raimon; Juárez-Jiménez, Jordi; Pérez Fernández, Belén; Luque Garriga, F. Xavier; Andrisano, Vincenza; Clos, Victòria; Inestrosa, Nibaldo C.; Muñoz-Torrero López-Ibarra, Diego |
| 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 |
| 10-Apr-2014 | rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids | Ruiz Carmona, Sergio; Alvarez-Garcia, Daniel; Foloppe, Nicolas; Garmendia-Doval, A. Beatriz; Juhos, Szilveszter; Schmidtke, Peter; Barril Alonso, Xavier; Hubbard, Roderick E.; Morley, S. David |
| 1-Oct-2014 | Shogaol-huprine hybrids: Dual antioxidant and anticholinesterase agents with beta-amyloid and tau anti-aggregating properties | Pérez Areales, Francisco Javier; Di Pietro, O.; Espargaró Colomé, Alba; Vallverdú i Queralt, Anna; Galdeano Cantador, Carlos; Ragusa, Ilaria M.; Viayna, Elisabet; Guillou, Catherine; Clos, Victòria; Pérez Fernández, Belén; Sabaté Lagunas, Raimon; Lamuela Raventós, Rosa Ma.; Luque Garriga, F. Xavier; Muñoz-Torrero López-Ibarra, Diego |
| 12-Sep-2014 | Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting beta-amyloid, tau, and cholinesterase pathologies | Di Pietro, O.; Pérez Areales, Francisco Javier; Juárez-Jiménez, Jordi; Espargaró Colomé, Alba; Clos, Victòria; Pérez Fernández, Belén; Lavilla Grífols, Rodolfo; Sabaté Lagunas, Raimon; Luque Garriga, F. Xavier; 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 |
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