New paper out in @J_A_C_S! We use multiscale methods to reveal how RNA binding allosterically tunes the active site for ATP hydrolysis in a biomolecular motor. 📷📷 Congrats to @_GM_Adrian and the rest of team!
Check out the full story here:
https://t.co/gKFgzzdKN7
🎤 Great to be at TCCM Workshop 2026 in Salamanca!
@_GM_Adrian presented our recent work on pyrophosphate hydrolysis using neural network potentials and enhanced sampling.
Read the paper: https://t.co/Cl9GlVU8RL
📍 Off to ESPA 2026 in Salamanca!
We are looking forward to a week of great science at the Electronic Structure Principles and Applications conference and the IV Biennial Meeting of the RSEQ Group in Chemistry and Computation.
See you there!
New group paper just out in @NatureComms! 🥳🎉
We unravel how protonation and Mg²⁺ ions shape the transition state diversity in phosphoanhydride hydrolysis in water, using NNPs.
Huge congrats to @_GM_Adrian and the rest of the team!
🔗Read it now: https://t.co/EJkus7Fhm8
📢New paper from our group in collaboration with Laage's and van der Kamp's groups!
"Simulating enzyme catalysis with electrostatically embedded machine learning potentials"
https://t.co/t2usbIjvxb
Check it out!
🎓 Jose Luis Velázquez successfully defended his PhD thesis last Friday, supervised by Prof. Iñaki Tuñón. — congratulations, Dr. Velázquez! 👏
We thank the examination committee: Pedro Fernandes (Univ. do Porto), Maite Roca (UJI), and Juan Aragó (UV).
A special paella lunch at our research group! 🥘
We said farewell to Dr. @_Andjelkovic_M, now starting a postdoc in the @BirteHoecker group (University of Bayreuth).
We also welcomed our visitors Leslie Sánchez and Jorge Luis Valdés from Chile. Great time together!
🎉 Great news at our research group! 🎓
Rubén and Luis, who joined us last October, are now starting their funded PhD period. Thanks to @generalitat and @CienciaGob for their support🤝
What a year 2025 has been: tenure-track competitions, a PhD thesis, a RyC position, conferences, new grants, great visitors, paellas and more. 😊 Welcome 2026 - with lots more fun and exciting science ahead! Happy New Year, everyone! 🎉⚛️
Grateful for the people behind the science! Ending the year the best way we know: together. 🥂 Tuñón Lab Christmas dinner - celebrating teamwork, science and a great year ahead. Cheers to 2026!
🎉 We're back! After some technical issues with the previous, we’ve launched a new X account. 🚀 Also celebrating the visit of our ex-group member @CarlosRTNT! Here’s to new beginnings!