Xavier Barril is an ICREA Research Professor at the University of Barcelona, School of Pharmacy. His research focuses on the discovery of bioactive molecules exploiting new mechanisms of action and the development of computational methods to achieve this goal efficiently. He is a well-known expert in the field of structure-based drug discovery, with 100 scientific publications, 40 invited talks at international conferences and 15 supervised Doctoral theses. He is also listed in the top 2% of most cited researchers (Stanford Ranking). Prof. Barril has a strong focus on applied research, which has resulted in15 patents, two spin-off companies (Minoryx Therapeutics in 2011 and Oniria Therapeutics in 2021), and active participation in the private drug discovery sector (scientist at Vernalis 2002-2005 and part-time CTO at Gain Therapeutics 2018-2023).

As of 2024, Prof. Barril is on leave of absence and moved to Boehringer-Ingelheim's German research site.

My main research interest is the discovery of bioactive molecules with novel mechanisms of action. These molecules can then be used as chemical probes to interrogate biological systems and validate new pharmacological targets, or as starting points to develop drug candidates. We aim to expand the so-called druggable genome by targeting untapped biological components, preferably through non-standard mechanisms of action, such as allosteric binding, conformational trapping or stabilisation of protein-protein complexes. To achieve this objective my group employs a multi-disciplinary and question-driven approach that combines computational, biophysical and biological techniques. We are particularly strong in computer-aided drug design and we develop new computational approaches that enable us to tackle such novel and difficult targets with confidence.