Browsing by Author Luque Garriga, F. Xavier

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Issue DateTitleAuthor(s)
2010The impact of theoretical chemistry in BiologyOrozco López, Modesto; Luque Garriga, F. Xavier
31-Jan-2013Integració recerca/docència en Ciències de la SalutAnguera Argilaga, María Teresa; Luque Garriga, F. Xavier; Manzano Cuesta, Anna
9-Dec-2019Interaction of human hemoglobin and semi-hemoglobins with the Staphylococcus aureus hemophore IsdB: a kinetic and mechanistic insightGianquinto, Eleonora; Moscetti, Ilaria; De Bei, Omar; Campanini, Barbara; Marchetti, María Laura; Luque Garriga, F. Xavier; Cannistraro, Salvatore; Ronda, Luca; Bizzarri, Anna Rita; Spyrakis, Francesca; Bettati, Stefano
13-Nov-2015Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding ModeKarlsson, Jessica; Morgillo, Carmine Marco; Deplano, Alessandro; Smaldone, Giovanni; Pedone, Emilia; Luque Garriga, F. Xavier; Svensson, Mona; Novellino, Ettore; Congiu, Cenzo; Onnis, Valentina; Catalanotti, Bruno; Fowler, Christopher J.
16-Dec-2019Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine DerivativesViayna Gaza, Antonio; Antermite, Salvatore G.; de Candia, Modesto; Altomare, Cosimo D.; Luque Garriga, F. Xavier
15-Apr-2008La flexibilitat en els àcids nucleics: Un estudi de dinàmica molecularNoy Freixa, Agnès
31-Jul-2019Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics SimulationsBringas, Mauro; Lombardi, Leandro E.; Luque Garriga, F. Xavier; Estrín, Darío; Capece, Luciana
25-Feb-2019Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studiesGinex, Tiziana; Vázquez, Javier; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier
15-Oct-2020Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening ApproachesVázquez, Javier; López, Manel; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier
25-Jul-2018Modelització multiescala del paper de l’entorn en processos de transferència de càrrega i d’energia en biomolèculesCorbella Morató, Marina
12-Dec-2014Modelización en diseño de fármacos: Exploración conformacional de ligandos y diseño de inhibidores multipotentesJuárez Jiménez, Jordi
12-Nov-2019Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular CarriersEstarellas, Carolina; Scaffidi, Salvatore; Saladino, Giorgio; Spyrakis, Francesca; Franzoni, Lorella; Galdeano Cantador, Carlos; Bidon-Chanal Badia, Axel; Gervasio, Francesco Luigi; Luque Garriga, F. Xavier
2-May-2014Molecular basis of the selective binding of MDMA enantiomers to the Alpha4Beta2 nicotinic receptor subtype: synthesis, pharmacological evaluation and mechanistic studiesLlabrés Prat, Salomé; García-Ratés, Sara; Cristóbal Lecina, Edgar; Riera i Escalé, Antoni; Borrell, José Ignacio; Camarasa García, Jordi; Pubill Sánchez, David; Luque Garriga, F. Xavier; Escubedo Rafa, Elena
2011Molecular simulations of globins: Exploring the relationship between structure, dynamics and functionForti, Flavio; Boechi, Leonardo; Novo de Oliveira, Ana Luísa; Bikiel, Damian; Arroyo, Pau; Nadra, Alejandro; Capece, Luciana; Bidon-Chanal Badia, Axel; Martí, Marcelo A.; Estrín, Darío; Luque Garriga, F. Xavier
13-Mar-2020N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interactionCastro, Sonia; Ginex, Tiziana; Vanderlinden, Evelien; Laporte, Manon; Stevaert, Annelies; Cumella, José; Gago, Federico; Camarasa, María Jose; Luque Garriga, F. Xavier; Naesens, Lieve; Velázquez, Sonsoles
14-Apr-2015New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding modeRey Carrizo, Matías; Gazzarrini, Sabrina; Llabrés Prat, Salomé; Frigolé Vivas, Marta; Juárez Jiménez, Jordi; Font Bardia, Ma. Mercedes; Naesens, Lieve; Moroni, Anna; Luque Garriga, F. Xavier; Vázquez Cruz, Santiago
12-Jun-2021New trimethoprim-like molecules: bacteriological evaluation and insights into their actionJorba, Marta; Pedrola, Marina; Ghashghaei, Ouldouz; Herráez, Rocío; Campos Vicens, Lluís; Luque Garriga, F. Xavier; Lavilla Grífols, Rodolfo; Viñas, Miquel
5-Aug-2015Novel 11β-HSD1 inhibitors: C-1 versus C-2 substitution and effect of the introduction of an oxygen atom in the adamantane scaffoldLeiva Martínez, Rosana; Seira Castán, Constantí; McBride, Andrew; Binnie, Margaret; Luque Garriga, F. Xavier; Bidon-Chanal Badia, Axel; Webster, Scott P.; Vázquez Cruz, Santiago
10-Mar-2022Novel indolic AMPK modulators induce vasodilatation through activation of the AMPK-eNOS-NO pathwaySanz-Gómez, Marta; Aledavood, Elnaz; Beroiz-Salaverri, Marina; Lagartera, Laura; Vega-Martín, Elena; Gil-Ortega, Marta; Cumella, José; Pérez, Concepción; Luque Garriga, F. Xavier; Estarellas, Carolina; Fernández-Alfonso, María S.; Castro, Ana
Jan-2020Oleocantal del Aceite de Oliva Virgen Extra y sus efectos en procesos neurodegenerativosGonzález Pérez, Paula Inocencia