News

Prof. Iñaki Tuñón, gave a talk last week at the EuChemS CompChem Symposium!

Last updated on Sep 29, 2025

We are thrilled to announce that the member of our research group, Jose Javier Ruiz-Pernía, has just been promoted to Full Professor.

Last updated on Sep 29, 2025

Milorad Andjelkovic, a member of our research group, successfully defended his PhD thesis this Tuesday — congratulations, Dr. Andjelkovic!

Last updated on Sep 29, 2025

This Tuesday, Milorad Andjelkovic, a member of our research group, will defend his PhD thesis. Come be part of the discussion and show support!

Last updated on Jun 13, 2025

Our paper on the catalytic mechanism and conformational dynamics of guinea pig l-asparaginase type 1 has just been published in ACS Catalysis!

Last updated on Apr 30, 2025

Very proud of our work that took us more than 10 years that just got published! We learned a lot in the process about modelling H transfer reactions.

Last updated on Apr 4, 2025

We are excited to announce the publication of our latest work in The Journal of Physical Chemistry Letters: “Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials.”

Last updated on Feb 28, 2025

Happy to share that our paper on pomotrelvir and nirmatrelvir binding and reactivity with SARS-CoV-2 main protease in @angew_chem has just been anounced as a paper of the month by the Spanish Biophysical Society @SBEsp (https://sbe.es/paperhighlights-oct2024-1/). 👏🎉

Last updated on Feb 28, 2025

🚀 Exciting news! Our latest research on the catalytic mechanism of GTP hydrolysis by RhoA has been accepted in ACS Catalysis! 🧪🔬 We reveal how glutamine tautomerism plays a crucial role in enzymatic activity.

Last updated on Feb 28, 2025

We are thrilled to announce our latest publication in Nature Communications! Our study uncovers the activation mechanisms and frictional forces governing enzymatic loop dynamics, providing new insights into protein function.

Last updated on Feb 28, 2025