Iñaki Tuñón - Research Group
@efmegroup.bsky.social
Modelling Chemical Processes in Biological Environments - Universitat de València
Prof. Iñaki Tuñón, gave a talk last week at the EuChemS CompChem Symposium held in Naples (Italy) from September 15–18.
September 29, 2025 at 2:40 PM
Prof. Iñaki Tuñón, gave a talk last week at the EuChemS CompChem Symposium held in Naples (Italy) from September 15–18.
The member of our research group, J. Javier Ruiz-Pernía, has just been promoted to Full Professor. Congrats Javier! 🧑🏫🎓🎉
September 29, 2025 at 2:36 PM
The member of our research group, J. Javier Ruiz-Pernía, has just been promoted to Full Professor. Congrats Javier! 🧑🏫🎓🎉
🎓 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
June 19, 2025 at 2:20 PM
🎓 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
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
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...
pubs.acs.org
April 30, 2025 at 1:26 PM
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
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! 💛
April 11, 2025 at 2:52 PM
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! 💛
Teamwork tastes better with paella! 🥘✨ Science, sun, and saffron — what more could we ask for? 😄
April 7, 2025 at 10:07 AM
Teamwork tastes better with paella! 🥘✨ Science, sun, and saffron — what more could we ask for? 😄
Reposted by Iñaki Tuñón - Research Group
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...
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
pubs.aip.org
April 3, 2025 at 6:55 PM
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...