Browsing by Author Rubio Martínez, Jaime
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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 1995 | Nature of bonding of alkali metals to Si(111) | Clotet, A.; Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc |
| 1986 | Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals | Barone, Vincenzo; Lelj, Francesco; Russo, Nino; Toscano, Marirosa; Illas i Riera, Francesc; Rubio Martínez, Jaime |
| Jan-2021 | On the use of the discrete constant pH molecular dynamics to describe the conformational space of peptides | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| 27-Jun-2011 | Optimització in silico de compostos antitumorals | Delgado Soler, Laura |
| 1996 | Origin of magnetic coupling in La2CuO4 | Casanovas Salas, Jordi; Rubio Martínez, Jaime; Illas i Riera, Francesc |
| 1995 | Origin 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-2014 | Protein Flexibility: From local to global motions. A computational study | Sánchez Martínez, Melchor |
| Jun-2022 | Ranking of inhibitors of SARS-CoV-2 Mpro protease with end-point methodologies | Cruz Marín, Carlos |
| 8-Sep-2016 | Rational enzyme engineering of heme peroxidases through biophysical and biochemical modeling | Acebes Serrano, Sandra |
| 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-Feb-2018 | Substituted tetrahydroisoquinolines: synthesis, characterization, antitumor activity and other biological properties | Capilla, A. Sergi; Soucek, Richard; Grau, Laura; Romero, Manel; Rubio Martínez, Jaime; Caignard, Daniel H.; Pujol Dilmé, M. Dolors |
| 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 |