Browsing by Author Rubio Martínez, Jaime
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| Issue Date | Title | Author(s) |
|---|---|---|
| 5-Dec-2022 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance | Alegre-Martí, Andrea; Jiménez Panizo, Alba; Martínez-Tébar, Adrián; Poulard, Coralie; Peralta Moreno, María Nuria; Abella, Montserrat; Antón, Rosa; Chiñas, Marcos; Eckhard, Ulrich; Piulats, Josep M.; Rojas, Ana M.; Fernández Recio, Juan; Rubio Martínez, Jaime; Le Romancer, Muriel; Aytés Meneses, Álvaro; Fuentes-Prior, Pablo; Estébanez Perpiñá, Eva |
| 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 |
| 25-May-2023 | A Step forward toward selective activation/inhibition of Bak, a pro-apoptotic member of the Bcl-2 protein family: discovery of new prospective allosteric sites using molecular dynamics | Vila-Julia, Guillem; Perez, Juan J.; Rubio Martínez, Jaime |
| 1985 | Ab initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfaces | Illas i Riera, Francesc; Rubio Martínez, Jaime; Ricart, Josep M. |
| 1993 | Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxides | Lorda Donat, Amparo; Illas i Riera, Francesc; Rubio Martínez, Jaime; Torrance, J. B. |
| 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 |
| 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 |
| 1988 | Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculations | Rubio Martínez, Jaime; Illas i Riera, Francesc; Ricart, Josep M. |
| 1990 | Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio study | Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc |
| 20-Apr-2023 | Computational Modelling of the pH Effect on Intrinsically Disordered Proteins | Privat Contreras, Cristian |
| 1-Jun-2012 | Cyclin-dependent kinases 4 and 6 control tumor progression and direct glucose oxidation in the pentose cycle | Zanuy Porquet, Miriam; Ramos Montoya, Antonio Francisco; Villacañas, Oscar; Canela i Canela, Núria; Miranda, Aníbal; Aguilar Fadó, Esther; Agell i Jané, Neus; Bachs Valldeneu, Oriol; Rubio Martínez, Jaime; Pujol Dilmé, M. Dolors; Lee, Paul Wai Nang; Marín Martínez, Silvia; Cascante i Serratosa, Marta |
| 2012 | Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening. | Obiol Pardo, Cristian; Alcarráz Vizán, Gemma; Cascante i Serratosa, Marta; 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. |
| 13-Oct-2008 | Disrupting the protein-protein recognition in cancer pathways by molecular modeling. | Obiol Pardo, Cristian |
| 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-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. |
| 28-Oct-2022 | Effects of solvents on the conformational profile of Balaram's peptide: a computational study | Gomez Gutierrez, Patricia; Rubio Martínez, Jaime; Pérez González, Juan Jesús |
| 1993 | Evidence for two different bonding mechanisms of Al on Si(111) | Illas i Riera, Francesc; Ricart, Josep M.; Rubio Martínez, Jaime; Casanovas Salas, Jordi |
| 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 |
| 1-Oct-2017 | Identification of Potential Small Molecule Binding Pockets in p38 alpha MAP Kinase | Gómez Gutiérrez, Patrícia; Rubio Martínez, Jaime; Perez, Juan J. |