Iñaki Tuñón Research Group
The research group Medium Effects led by Prof. Iñaki Tuñón is
placed at the Department of Physical Chemistry of the University of
Valencia, The scientific work of the group is focused on the theoretical
description of chemical processes in condensed phases, solution and
biological environments, combining theory and simulations.
Latest News
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.”
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/). 👏🎉
🚀 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.