Browsing by Author Rubio Martínez, Jaime

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Showing results 34 to 41 of 41 < previous 
Issue DateTitleAuthor(s)
9-Dec-2014Protein Flexibility: From local to global motions. A computational studySánchez Martínez, Melchor
Jun-2022Ranking of inhibitors of SARS-CoV-2 Mpro protease with end-point methodologiesCruz Marín, Carlos
8-Sep-2016Rational enzyme engineering of heme peroxidases through biophysical and biochemical modelingAcebes Serrano, Sandra
20-May-2022Shedding light on the binding mechanism of kinase inhibitors BI-2536, Volasetib and Ro-3280 with their pharmacological target PLK1Fernandez-Sainz, Jesús; Pacheco-Linan, Pedro J.; Granadino Roldán, José M.; Bravo, Ivan; Rubio Martínez, Jaime; Albaladejo, Jose; Garzón, Andrés
1-Feb-2018Substituted tetrahydroisoquinolines: synthesis, characterization, antitumor activity and other biological propertiesCapilla, A. Sergi; Soucek, Richard; Grau, Laura; Romero, Manel; Rubio Martínez, Jaime; Caignard, Daniel H.; Pujol Dilmé, M. Dolors
1-May-2019Toward understanding calmodulin plasticity by molecular dynamicsGarrido, Eduardo; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Granadino Roldán, José M.; Rubio Martínez, Jaime
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime
28-Sep-2021Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit SolvationPrivat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime