Browsing by Author Luque Garriga, F. Xavier
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| Issue Date | Title | Author(s) |
|---|---|---|
| 15-Oct-2020 | Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches | Vázquez, Javier; López, Manel; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier |
| 25-Jul-2018 | Modelització multiescala del paper de l’entorn en processos de transferència de càrrega i d’energia en biomolècules | Corbella Morató, Marina |
| 12-Dec-2014 | Modelización en diseño de fármacos: Exploración conformacional de ligandos y diseño de inhibidores multipotentes | Juárez Jiménez, Jordi |
| 12-Nov-2019 | Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers | Estarellas, 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-2014 | Molecular basis of the selective binding of MDMA enantiomers to the Alpha4Beta2 nicotinic receptor subtype: synthesis, pharmacological evaluation and mechanistic studies | Llabrés 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 |
| 2011 | Molecular simulations of globins: Exploring the relationship between structure, dynamics and function | Forti, 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-2020 | N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction | Castro, 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-2015 | New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode | Rey 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-2021 | New trimethoprim-like molecules: bacteriological evaluation and insights into their action | Jorba, Marta; Pedrola, Marina; Ghashghaei, Ouldouz; Herráez, Rocío; Campos Vicens, Lluís; Luque Garriga, F. Xavier; Lavilla Grífols, Rodolfo; Viñas, Miquel |
| 5-Aug-2015 | Novel 11β-HSD1 inhibitors: C-1 versus C-2 substitution and effect of the introduction of an oxygen atom in the adamantane scaffold | Leiva 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-2022 | Novel indolic AMPK modulators induce vasodilatation through activation of the AMPK-eNOS-NO pathway | Sanz-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-2020 | Oleocantal del Aceite de Oliva Virgen Extra y sus efectos en procesos neurodegenerativos | González Pérez, Paula Inocencia |
| 19-Feb-2020 | On the Binding of Congo Red to Amyloid Fibrils | Espargaró Colomé, Alba; Llabrés Prat, Salomé; Saupe, Sven J.; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Sabaté Lagunas, Raimon |
| 13-Sep-2019 | On the usage of lipophilic descriptors for molecular similarity evaluation | Vázquez Lozano, Javier |
| 25-Jul-2017 | Origin of the Base-Dependent Facial Selectivity in Annulation Reactions of Nazarov-Type Reagents with Unsaturated Indolo[2,3-a] quinolizidine Lactams | Estarellas, Carolina; Arioli, Federica; Pérez Bosch, Maria; Are, Celeste; Hevia, David; Molins i Grau, Elies; Luque Garriga, F. Xavier; Bosch Cartes, Joan; Amat Tusón, Mercedes |
| 2020 | Pharmacology and preclinical validation of a novel anticancer compound targeting PEPCK-M | Aragó, Marc; Moreno Felici, Juan; Abás Prades, Sònia; Rodríguez Arévalo, Sergio; Hyrossová, Petra; Figueras, Agnes; Viñals Canals, Francesc; Pérez, Belén; Loza, María Isabel; Brea, José; Latorre, Pedro; Carrodeguas, Jose A.; García-Roves, Pablo M. (Pablo Miguel); Galdeano, Carlos; Ginex, Tiziana; Luque Garriga, F. Xavier; Escolano Mirón, Carmen; Perales Losa, Carlos |
| 10-Jul-2021 | Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model | Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Zamora Ramírez, William J. |
| 27-Nov-2019 | Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations | Zamora Ramírez, William J.; Pinheiro, Silvana de Souza; German, Kilian; Rafols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier |
| 12-Jun-2023 | Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models | Zamora Ramírez, William J.; Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Bisbal, Laia; Ruiz, Rebeca; Ràfols Llach, Clara; Luque Garriga, F. Xavier |
| 8-Nov-2012 | Role of PheE15 gate in ligand entry and nitric oxide detoxification function of Mycobacterium tuberculosis truncated hemoglobin N | Oliveira, Ana; Singh, Sandeep; Bidon-Chanal Badia, Axel; Forti, Flavio; Martí, Marcelo A.; Boechi, Leonardo; Estrín, Darío; Dikshit, Kanak L.; Luque Garriga, F. Xavier |