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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-2017 | Identification of Potential Small Molecule Binding Pockets in p38 alpha MAP Kinase | Gómez Gutiérrez, Patrícia; Rubio Martínez, Jaime; Perez, Juan J. |
| 1-Nov-2017 | Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations | Rubio Martínez, Jaime; Santos Tomas, M.; Perez, Juan J. |
| 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 |
| 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 |
| 7-May-2018 | Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methods | Albareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime |
| 30-Oct-2018 | Modeling and subtleties of K-Ras and Calmodulin interaction | Garrido, Eduardo; Lázaro, Juan; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Rubio Martínez, Jaime |
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