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Issue Date | Title | Author(s) |
---|---|---|
12-Mar-2019 | Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors | Granadino Roldán, José M.; Mey, Antonia S. J. S.; Pérez González, Juan J.; Bosisio, Stefano; Rubio Martínez, Jaime; Michel, Julien |
1-Oct-2016 | Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory | Pérez González, Juan J.; Santos Tomas, M.; Rubio Martínez, Jaime |
28-Dec-2020 | Fragment Dissolved molecular dynamics: A systematic and efficient method to locate binding sites. | Privat-Contreras, Cristian; Granadino Roldán, José M.; Bonet, Jordi; Santos Tomas, M.; Pérez González, Juan J.; Rubio Martínez, Jaime |
22-Nov-2021 | Discovery of diverse natural products as inhibitors of SARS-CoV-2 Mpro protease through virtual screening | Rubio Martínez, Jaime; Jiménez-Alesanco, Ana; Ceballos-Laita, Laura; Ortega Alarcón, David; Vega, Sonia; Calvo, Cristina; Benítez, Cristina; Abian, Olga; Velázquez-Campoy, Adrián; Thomson, Timothy; Granadino Roldán, José M.; Gómez-Gutiérrez, Patricia; Pérez González, Juan J. |
23-Mar-2020 | Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides | Vila-Julià, Guillem; Granadino Roldán, José M.; Pérez González, Juan J.; Rubio Martínez, Jaime |