Xavier Barril

22PUBLICATIONS
65CO-AUTHORS
Biomolecular modelling and designProteins and peptidesCheminformatics and quantitative structure-activity relationshipsComputational chemistryAutoimmunity
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Publications (22)

|May 04, 2026
Development of Small-Molecule Allosteric Modulators of Beta-Galactosidase (β-Gal) for the Treatment of GM1 Gangliosidosis and Morquio B.

|Nov 21, 2025
Water Networks as Hydrophobic Recognition Motifs in Proteins.

Serena G Piticchio, Miriam Martínez-Cartró, Salvatore Scaffidi

|Aug 01, 2025
A bottom-up approach to find lead compounds in expansive chemical spaces.

Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar

|May 20, 2025
The Quasi-Bound State as a Predictor of Relative Binding Free Energy.

Álvaro Serrano-Morrás, Yvonne Westermaier, Maciej Majewski

|Nov 20, 2024
Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues en route to SphK inhibitors.

Adrià Cardona, Varbina Ivanova, Raúl Beltrán-Debón

|Sep 10, 2024
Comprehensive detection and characterization of human druggable pockets through binding site descriptors.

Arnau Comajuncosa-Creus, Guillem Jorba, Xavier Barril

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Frequent Collaborators

4 joint publications

Lucas Defelipe

3 joint publications

Juan Pablo Arcon

3 joint publications

Patrick Aloy

3 joint publications

Maciej Majewski