From May 6th to 8th, Varbina participated in the Free Energy Workshop 2025, held in Boston, USA. She presented a poster on the work she has done together with Patricia and Jordi on Steered MD for Molecular Glues. The workshop featured presentations on methodological developments, practical applications, and emerging trends in the field of free […]

This week, Varbina and Jordi took part in the European Conference on Allostery in Drug Discovery, held at the Biomedical Research Foundation of the Academy of Athens and organized by the ALLODD consortium. The event brought together researchers working on different aspects of allostery and drug design. It was a valuable opportunity to exchange ideas, present […]

This last weekend, the Experimental and Computational teams came together for a calçotada. It was the perfect occasion to bond outside of the lab and share a piece of local culture with our colleagues who didn’t know it. Big thanks to everyone who joined in, and to those who helped make it happen. We’re already looking […]

Last Thursday, Beste successfully defended her PhD thesis titled “Multiscale modelling of light harvesting, catalysis, and ligand binding in biosystems”, a work that has required years of dedication and hard work. A special thank you to the members of the tribunal, Laura Pérez Benito, Carolina Estarellas, and Carlos Modenutti, for their attendance and valuable contributions […]

Last week, Patricia, Álvaro, and Blanca visited a Chemistry Institute in Girona, where we gave a talk about the type of research we do. We also presented a case study on a protein that has been extensively studied in our group. We hope the students enjoyed the session and, most importantly, that they learned something […]

Yesterday, the members of the CMD lab gathered once again with our colleagues from the CBDD group for our periodic technical meeting, this time at the Faculty of Pharmacy. The meeting featured a technical session focused on Free Energy (FEP/TI) Alchemical Calculations, where we explored different methodologies and shared insights on their applications. Additionally, researchers […]

We are excited to announce that we just released a new preprint titled “A novel bottom-up approach to find lead-compounds in billion-sized libraries“. In this work we used a hierarchy of computational methods to prospectively identify (and validate experimentally) 19 BRD4 (BD1) binders while throughly exploring the 1% most promising space of the Enamine REAL […]

Today, our colleague Patricia presented part of her research project during the final Seminar of the year at the Institute of Theoretical and Computational Chemistry (IQTC). Her presentation, titled “Understanding the Role of H-Bonds in the Stability of Molecular Glue-Induced Ternary Complexes”, showcased three examples of systems containing molecular glues. These examples highlighted the potential […]