Browsing by Author Rubio Martínez, Jaime
Showing results 8 to 27 of 41
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| Issue Date | Title | Author(s) |
|---|---|---|
| 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. |
| 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 |
| 2-Feb-2014 | Microwave-Assisted Synthesis of Substituted Pyrrolo[2,3-d]pyrimidines | Prieur, Vanessa; Rubio Martínez, Jaime; Font Bardia, Ma. Mercedes; Guillaumet, Gérald; Pujol Dilmé, M. Dolors |
| 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 |
| 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 |
| 16-Jul-2022 | Molecular dynamics simulations of an alfa-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest beta-sheet intermediate states of fibrillation | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| Jun-2020 | Molecular Dynamics with many ligands: Allosteric inhibition of the antiapoptotic Mcl-1 and Bcl-xL proteins | Peralta Moreno, María Nuria |
| 1-Jan-2020 | Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological properties | Grau, Laura; Romero, Manel; Privat-Contreras, Cristian; Presa, Daniela; Viñas, Miquel; Morral, Jordi; Pors, Klaus; Rubio Martínez, Jaime; Pujol Dilmé, M. Dolors |