Iñaki Tuñón - Research Group

Prof. Iñaki Tuñón, gave a talk last week at the EuChemS CompChem Symposium held in Naples (Italy) from September 15–18.

29.09.2025 14:39 — 👍 0    🔁 0    💬 0    📌 0

The member of our research group, J. Javier Ruiz-Pernía, has just been promoted to Full Professor. Congrats Javier! 🧑‍🏫🎓🎉

29.09.2025 14:35 — 👍 0    🔁 0    💬 0    📌 0

🎓 Big congratulations to our student Milorad Andjelkovic on successfully defending his PhD thesis! Your hard work, dedication and perseverance have paid off - we're proud of you, Dr. Andjelkovic! 👏 #PhDDefense

19.06.2025 14:20 — 👍 1    🔁 1    💬 0    📌 0

Unveiling the Catalytic Mechanism and Conformational Dynamics of Guinea Pig l-Asparaginase Type 1 for Leukemia Drug Design In this study, we present a computational analysis of the catalytic properties of guinea pig asparaginase type 1 (or gpASNase1), an enzyme of mammalian origin that offers a potential alternative for t...

Our paper on the catalytic mechanism and conformational dynamics of guinea pig l-asparaginase type 1 for leukemia drug design has just been published in ACS Catalysis! Check it out! ⚛️ 💊 💻https://pubs.acs.org/doi/10.1021/acscatal.4c07791

30.04.2025 13:26 — 👍 4    🔁 0    💬 0    📌 0

Today we said goodbye to Laetitia, who's heading back to France after her time in our research group. It had to be the Valencian way: with fideuà and paella! 🥘✨ Bonne chance, Laetitia! 💛

11.04.2025 14:52 — 👍 2    🔁 0    💬 0    📌 0

Teamwork tastes better with paella! 🥘✨ Science, sun, and saffron — what more could we ask for? 😄

07.04.2025 10:07 — 👍 0    🔁 0    💬 0    📌 0

Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity It is now well established that the transition state of a chemical reaction is not a single, static structure but rather a distribution of configurations. Howev

It was worth waiting ! Started 10 years ago, this work on modeling H transfer reactions is finally out, and I learned a lot in the process. Mostly by @efmegroup.bsky.social, Damien Laage @chimieens.bsky.social and Casey Hynes, with a small contribution of mine. #compchem pubs.aip.org/aip/jcp/arti...

03.04.2025 18:55 — 👍 14    🔁 1    💬 0    📌 1