Browsing by Author Granadino Roldán, José M.
Showing results 1 to 9 of 9
| Issue Date | Title | Author(s) |
|---|---|---|
| 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-Jul-2017 | Binding of the anticancer drug BI-2536 to human serum albumin. A spectroscopic and theoretical study | Fernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Garzón, Andrés; Rubio Martínez, Jaime; Albaladejo, Jose |
| 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. |
| 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 |
| 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 |
| 2015 | Insight into the binding of DFG-out allosteric inhibitors to B-Raf Kinase using molecular dynamics and free energy calculations | Coronel, Luis; Granadino Roldán, José M.; Pinto, Marta; Santos Tomas, M.; Pujol Dilmé, M. Dolors; Rubio Martínez, Jaime |
| 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 |
| 20-May-2022 | Shedding light on the binding mechanism of kinase inhibitors BI-2536, Volasetib and Ro-3280 with their pharmacological target PLK1 | Fernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Rubio Martínez, Jaime; Albaladejo, Jose; Garzón, Andrés |
| 1-May-2019 | Toward understanding calmodulin plasticity by molecular dynamics | Garrido, Eduardo; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Granadino Roldán, José M.; Rubio Martínez, Jaime |