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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 11-Dec-2018 | Solvents to Fragments to Drugs: MD Applications in Drug Design | Defelipe, Lucas A.; Arcon, Juan Pablo; Modenutti, Carlos P.; Martí, Marcelo A.; Turjanski,Adrián G.; Barril Alonso, Xavier |
| 29-Jun-2017 | Detecting similar binding pockets to enable systems polypharmacology | Duran Frigola, Miquel; Siragusa, Lydia; Ruppin, Eytan; Barril Alonso, Xavier; Cruciani, Gabriele; Aloy, Patrick, 1972- |
| 20-Feb-2019 | DUckCov: a Dynamic Undocking‐based Virtual Screening Protocol for Covalent Binders | Rachman, Moira; Scarpino, Andrea; Bajusz, Dávid; Palfy, Gyula; Vida, István; Perczel, András; Barril Alonso, Xavier; Keseru, Görgy M. |
| 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 |
| 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 |
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