Browsing by Author Barril Alonso, Xavier

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Issue DateTitleAuthor(s)
17-Sep-2019An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorderMajewski, Maciej; Ruiz Carmona, Sergio; Barril Alonso, Xavier
25-Oct-2021Biophysical and structural approaches to discover small-molecule modulators of challenging targets in cancerMartínez Cartró, Míriam
15-Jan-2021Biophysical Techniques for the Investigation of Protein-Ligand ComplexesScaffidi, Salvatore
27-May-2022Computational and biophysical approaches for the discovery of Tribbles pseudokinases modulatorsSalamanca Viloria, Juan
22-Apr-2022Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP SynthaseAvila-Barrientos, Luis Pablo; Cofas-Vargas, Luis Fernando; Agüero-Chapin, Guillermin; Hernández-García, Enrique; Ruiz-Carmona, Sergio; Valdez-Cruz, Norma A.; Trujillo-Roldán, Mauricio; Weber, Joachim; Ruiz-Blanco, asser B.; Barril Alonso, Xavier; García-Hernández, Enrique
21-May-2012Conformational variability: implications for biomolecular activity and in drug designBhattacharyya, Mousumi
29-Jun-2017Detecting similar binding pockets to enable systems polypharmacologyDuran Frigola, Miquel; Siragusa, Lydia; Ruppin, Eytan; Barril Alonso, Xavier; Cruciani, Gabriele; Aloy, Patrick, 1972-
26-Apr-2022Development of an Automatic Pipeline for Participation in the CELPP ChallengeMiñarro-Lleonar, Marina; Ruiz-Carmona, Sergio; Alvarez-Garcia, Daniel; Schmidtke, Peter; Barril Alonso, Xavier
20-Feb-2019DUckCov: a Dynamic Undocking‐based Virtual Screening Protocol for Covalent BindersRachman, Moira; Scarpino, Andrea; Bajusz, Dávid; Palfy, Gyula; Vida, István; Perczel, András; Barril Alonso, Xavier; Keseru, Görgy M.
6-Sep-2011Flexibilidad conformacional de moléculas bioactivas: implicaciones en diseño de fármacos y función de globinasForti, Flavio
20-Jan-2020Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomasSubirós Funosas, Ramon; Cheuk Lam Ho, Vivian; Barth, Nicole D.; Mendive Tapia, Lorena; Pappalardo, Morena; Barril Alonso, Xavier; Ma, Ruoyu; Zhang, Cheng-Bin; Qian, Bin-Zhi; Sintes Marcos, Miquel; Ghashghaei, Ouldouz; Lavilla Grífols, Rodolfo; Vendrell, Marc
23-Sep-2020Fragment-to-Lead Optimization with Automated and Iterative Virtual ScreeningRachman, Moira
16-Aug-2019Hydrophobic waters in bromodomainsPiticchio, Serena G.; Martínez Cartró, Míriam; Scaffidi, Salvatore; Rodríguez-Arévalo, Sergio; Bagan Polonio, Andrea; Sánchez-Arefelis, Ainoa; Escolano Mirón, Carmen; Galdeano Cantador, Carlos; Barril Alonso, Xavier
17-Jul-2020Implications of Structural Stability for Drug DesignMajewski, Maciej
8-Jul-2015In silico/in vivo insights into the functional and evolutionary pathway of Pseudomonas aeruginosa oleate-diol synthase. Discovery of a new bacterial di-heme cytochrome C peroxidase subfamilyEstupiñán Romero, Mónica; Álvarez García, Daniel; Barril Alonso, Xavier; Díaz Lucea, Pilar; Manresa Presas, Ma. Ángeles (María Ángeles)
20-Feb-2015Interfaces proteína-proteína: un nuevo tipo de diana terapéuticaPujadas Lorente, Montserrat
21-Apr-2023Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust InteractionsMiñarro Lleonar, Marina; Bertran-Mostazo, Andrea; Duro Gómez, Jorge; Barril Alonso, Xavier; Juárez Jiménez, Jordi
26-Apr-2016Més enllà dels inhibidors. Atacant nous llocs i mecanismes d’acció amb l’ajuda d'eines computacionals (Seminaris de Recerca 2016)Barril Alonso, Xavier
11-May-2021Molecular recognition and chemical space navigation in drug discoveryPiticchio, Serena
18-Dec-2014Protein solvation preferences: applications to drug discoveryÁlvarez García, Daniel