Browsing by Author Granadino Roldán, José M.

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Showing results 1 to 9 of 9
Issue DateTitleAuthor(s)
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 Gutiérrez, Patrícia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime
1-Jul-2017Binding of the anticancer drug BI-2536 to human serum albumin. A spectroscopic and theoretical studyFernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Garzón, Andrés; Rubio Martínez, Jaime; Albaladejo, Jose
22-Nov-2021Discovery of diverse natural products as inhibitors of SARS-CoV-2 Mpro protease through virtual screeningRubio 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.
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
28-Dec-2020Fragment 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
2015Insight into the binding of DFG-out allosteric inhibitors to B-Raf Kinase using molecular dynamics and free energy calculationsCoronel, Luis; Granadino Roldán, José M.; Pinto, Marta; Santos Tomas, M.; Pujol Dilmé, M. Dolors; Rubio Martínez, Jaime
23-Mar-2020Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 PeptidesVila-Julià, Guillem; Granadino Roldán, José M.; Pérez González, Juan J.; Rubio Martínez, Jaime
20-May-2022Shedding light on the binding mechanism of kinase inhibitors BI-2536, Volasetib and Ro-3280 with their pharmacological target PLK1Fernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Rubio Martínez, Jaime; Albaladejo, Jose; Garzón, Andrés
1-May-2019Toward understanding calmodulin plasticity by molecular dynamicsGarrido, Eduardo; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Granadino Roldán, José M.; Rubio Martínez, Jaime