Browsing by Author Rubio Martínez, Jaime

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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 Gutierrez, Patricia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime
1985Ab initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfacesIllas i Riera, Francesc; Rubio Martínez, Jaime; Ricart, Josep M.
1993Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxidesLorda Donat, Amparo; Illas i Riera, Francesc; Rubio Martínez, Jaime; Torrance, J. B.
1988Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculationsRubio Martínez, Jaime; Illas i Riera, Francesc; Ricart, Josep M.
1990Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio studyRicart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc
1-Jun-2012Cyclin-dependent kinases 4 and 6 control tumor progression and direct glucose oxidation in the pentose cycleZanuy Porquet, Miriam; Ramos Montoya, Antonio Francisco; Villacañas, Oscar; Canela, Nuria; 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
2012Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.Obiol Pardo, Cristian; Alcarráz Vizán, Gemma; Cascante i Serratosa, Marta; Rubio Martínez, Jaime
13-Oct-2008Disrupting the protein-protein recognition in cancer pathways by molecular modeling.Obiol Pardo, Cristian
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.
1993Evidence for two different bonding mechanisms of Al on Si(111)Illas i Riera, Francesc; Ricart, Josep M.; Rubio Martínez, Jaime; Casanovas Salas, Jordi
1-Oct-2017Identification of Potential Small Molecule Binding Pockets in p38 alpha MAP KinaseGomez Gutierrez, Patricia; Rubio Martínez, Jaime; Perez, Juan J.
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; Tomás Belenguer, Maria Santos; Pujol Dilmé, M. Dolors; Rubio Martínez, Jaime
2-Feb-2014Microwave-Assisted Synthesis of Substituted Pyrrolo[2,3-d]pyrimidinesPrieur, Vanessa; Rubio Martínez, Jaime; Font Bardia, Ma. Mercedes; Guillaumet, Gérald; Pujol Dilmé, M. Dolors
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
1995Nature of bonding of alkali metals to Si(111)Clotet, A.; Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc
1986Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystalsBarone, Vincenzo; Lelj, Francesco; Russo, Nino; Toscano, Marirosa; Illas i Riera, Francesc; Rubio Martínez, Jaime
27-Jun-2011Optimització in silico de compostos antitumoralsDelgado Soler, Laura
1996Origin of magnetic coupling in La2CuO4Casanovas Salas, Jordi; Rubio Martínez, Jaime; Illas i Riera, Francesc
1995Origin of the vibrational shift of CO chemisorbed on Pt(111)Illas i Riera, Francesc; Zurita, S.; Rubio Martínez, Jaime; Márquez Cruz, Antonio Marcial
9-Dec-2014Protein Flexibility: From local to global motions. A computational studySánchez Martínez, Melchor