Iñaki Tuñón - Research Group
@tunonlab.bsky.social
Modelling Chemical Processes in Biological Environments - Universitat de València
A special paella lunch at our research group! 🥘
We said farewell to Dr. Milorad Andjelković, now starting a postdoc in the Birte Höcker group (University of Bayreuth).
We also welcomed our visitors Leslie Sánchez and Jorge Luis Valdés from Chile. Great time together!
We said farewell to Dr. Milorad Andjelković, now starting a postdoc in the Birte Höcker group (University of Bayreuth).
We also welcomed our visitors Leslie Sánchez and Jorge Luis Valdés from Chile. Great time together!
February 4, 2026 at 5:18 PM
A special paella lunch at our research group! 🥘
We said farewell to Dr. Milorad Andjelković, now starting a postdoc in the Birte Höcker group (University of Bayreuth).
We also welcomed our visitors Leslie Sánchez and Jorge Luis Valdés from Chile. Great time together!
We said farewell to Dr. Milorad Andjelković, now starting a postdoc in the Birte Höcker 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 Valenciana
and the Ministerio de Ciencia, Innovación y Universidades
for their support🤝
Rubén and Luis, who joined us last October, are now starting their funded PhD period. Thanks to Generalitat Valenciana
and the Ministerio de Ciencia, Innovación y Universidades
for their support🤝
February 2, 2026 at 3:24 PM
🎉 Great news at our research group! 🎓
Rubén and Luis, who joined us last October, are now starting their funded PhD period. Thanks to Generalitat Valenciana
and the Ministerio de Ciencia, Innovación y Universidades
for their support🤝
Rubén and Luis, who joined us last October, are now starting their funded PhD period. Thanks to Generalitat Valenciana
and the Ministerio de Ciencia, Innovación y Universidades
for their support🤝
Happy Holidays, everybody! ⚛️🖥️⚗️
December 19, 2025 at 3:09 PM
Happy Holidays, everybody! ⚛️🖥️⚗️
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...