Xavier Barril

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 28

Top Topics

Mycobacterium Tuberculosis

Multiple Myeloma

Top Venues

Journal of medicinal chemistry

Journal of the American Chemical Society

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Elena Cubero, Ana Ruano, Aida Delgado, Xavier Barril, Sara Morales, Ana Trapero, Lorenzo Leoni, Manolo Bellotto, Roberto Maj, Beatriz Calvo-Flores Guzmán, Natalia Pérez-Carmona, Ana Maria Garcia-Collazo
Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I. PloS one 19 (5) (2024)
Arnau Comajuncosa-Creus, Guillem Jorba, Xavier Barril, Patrick Aloy
Comprehensive detection and characterization of human druggable pockets through binding site descriptors. Nature communications 15 (1) (2024)
Elena Cubero, Ana Ruano, Aida Delgado, Xavier Barril, Sara Morales, Ana Trapero, Lorenzo Leoni, Manolo Bellotto, Roberto Maj, Beatriz Calvo-Flores Guzmán, Natalia Pérez-Carmona, Ana Maria Garcia-Collazo
Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I. PloS one 19 (5) (2024)
Elena Cubero, Ana Ruano, Aida Delgado, Xavier Barril, Sara Morales, Ana Trapero, Lorenzo Leoni, Manolo Bellotto, Roberto Maj, Beatriz Calvo-Flores Guzmán, Natalia Pérez-Carmona, Ana Maria Garcia-Collazo
Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I. PloS one 19 (5) (2024)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry 66 (9) (2023)
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, Nicola Armaroli, Barbara Ventura, Henri-Pierre Jacquot de Rouville, Valérie Heitz
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor. Journal of the American Chemical Society 145 (19) (2023)
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, Nicola Armaroli, Barbara Ventura, Henri-Pierre Jacquot de Rouville, Valérie Heitz
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor. Journal of the American Chemical Society (2023)
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, Nicola Armaroli, Barbara Ventura, Henri-Pierre Jacquot de Rouville, Valérie Heitz
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor. Journal of the American Chemical Society 145 (19) (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry (2023)
Mikhail Rudinskiy, Maria Pons-Vizcarra, Tatiana Soldà, Ilaria Fregno, Timothy Jan Bergmann, Ana Ruano, Aida Delgado, Sara Morales, Xavier Barril, Manolo Bellotto, Elena Cubero, Ana María García-Collazo, Natalia Pérez-Carmona, Maurizio Molinari
Validation of a highly sensitive HaloTag-based assay to evaluate the potency of a novel class of allosteric β-Galactosidase correctors. PloS one 18 (11) (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry 66 (9) (2023)
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, Nicola Armaroli, Barbara Ventura, Henri-Pierre Jacquot de Rouville, Valérie Heitz
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor. Journal of the American Chemical Society 145 (19) (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry 66 (9) (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry 66 (9) (2023)
Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions. Journal of medicinal chemistry (2023)
Luis Pablo Avila-Barrientos, Luis Fernando Cofas-Vargas, Guillermin Agüero-Chapin, Enrique Hernández-García, Sergio Ruiz-Carmona, Norma A Valdez-Cruz, Mauricio A Trujillo-Roldán, Joachim Weber, Yasser B Ruiz-Blanco, Xavier Barril, Enrique García-Hernández
Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli F O F 1 -ATP Synthase. Antibiotics (Basel, Switzerland) 11 (5) (2022)
Osvaldo Burastero, Lucas A Defelipe, Gabriel Gola, Nancy L Tateosian, Elias D Lopez, Camila Belen Martinena, Juan Pablo Arcon, Martín Dodes Traian, Diana E Wetzler, Isabel Bento, Xavier Barril, Javier Ramirez, Marcelo A Marti, Maria M Garcia-Alai, Adrián G Turjanski
Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors. Journal of medicinal chemistry 65 (14) (2022)
Marina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Peter Schmidtke, Xavier Barril
Development of an Automatic Pipeline for Participation in the CELPP Challenge. International journal of molecular sciences 23 (9) (2022)
Serena G Piticchio, Míriam Martínez-Cartró, Salvatore Scaffidi, Moira Rachman, Sergio Rodriguez-Arevalo, Ainoa Sanchez-Arfelis, Carmen Escolano, Sarah Picaud, Tobias Krojer, Panagis Filippakopoulos, Frank von Delft, Carles Galdeano, Xavier Barril
Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space. Journal of medicinal chemistry 64 (24) (2021)
Maciej Majewski, Xavier Barril
Structural Stability Predicts the Binding Mode of Protein-Ligand Complexes. Journal of chemical information and modeling 60 (3) (2020)
Moira M Rachman, Dávid Bajusz, Anasztázia Hetényi, Andrea Scarpino, Balázs Merő, Attila Egyed, László Buday, Xavier Barril, György Miklós Keserű
Discovery of a novel kinase hinge binder fragment by dynamic undocking. RSC medicinal chemistry 11 (5) (2020)
Ramon Subiros-Funosas, Vivian Cheuk Lam Ho, Nicole D Barth, Lorena Mendive-Tapia, Morena Pappalardo, Xavier Barril, Ruoyu Ma, Cheng-Bin Zhang, Bin-Zhi Qian, Miquel Sintes, Ouldouz Ghashghaei, Rodolfo Lavilla, Marc Vendrell
Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomas. Chemical science 11 (5) (2019)
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, Marcelo A Marti, Adrián G Turjanski, Xavier Barril
Solvents to Fragments to Drugs: MD Applications in Drug Design. Molecules (Basel, Switzerland) 23 (12) (2018)
Miquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, Xavier Barril, Gabriele Cruciani, Patrick Aloy
Detecting similar binding pockets to enable systems polypharmacology. PLoS computational biology 13 (6) (2017)
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, Elias D López, Daniel Alvarez-Garcia, Xavier Barril, Adrián G Turjanski, Marcelo A Marti
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions. Journal of chemical information and modeling 57 (4) (2017)
Sergio Ruiz-Carmona, Peter Schmidtke, F Javier Luque, Lisa Baker, Natalia Matassova, Ben Davis, Stephen D Roughley, James Murray, Rod Hubbard, Xavier Barril
Dynamic undocking and the quasi-bound state as tools for drug discovery. Nature chemistry 9 (3) (2016)