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Issue DateTitleAuthor(s)
1-Oct-2017Identification of Potential Small Molecule Binding Pockets in p38 alpha MAP KinaseGomez Gutierrez, Patricia; Rubio Martínez, Jaime; Perez, Juan J.
1-Nov-2017Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulationsRubio Martínez, Jaime; Santos Tomas, M.; Perez, Juan J.
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime
30-Oct-2018Modeling and subtleties of K-Ras and Calmodulin interactionGarrido, Eduard; Lázaro, Juan; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Rubio Martínez, Jaime
17-Jan-2018A Multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitorsGranadino Roldán, José M.; Garzón, Andrés; Gómez Gutierrez, Patricia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime
12-Mar-2019Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitorsGranadino Roldán, José M.; Mey, Antonia S. J. S.; Pérez González, Juan J.; Bosisio, Stefano; Rubio Martínez, Jaime; Michel, Julien