What we are doing in our group?
Photochemistry
The importance of photoswitches as drug is enormous and Quantum Chemistry could help us to achieve it
Protein Design
The modification of enzymes is one of the key tools on synthesising new specific compounds
Drug Design
We are trying to re-design drugs for inflammation inihibition
Allosteric Effects
Sometimes the activity of enzymes depends on the movement of several domains of the protein structure, to understand how it works, these movements must be studied
Latest Publications
RSC Advances
Exploring allosteric properties of mammalian ALOX15: octyl (N-(4-(benzofuran-2-yl)-2-methoxyphenyl)sulfamoyl)- and octyl (N-(4-(1H-indol-2-yl)-2-methoxyphenyl)sulfamoyl)carbamates as ALOX inhibitors
Protein Science
First-principles simulations of the fluorescence modulation of a COX-2-specific fluorogenic probe upon protein dimerization for cancer discrimination
ACS Omega
Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies
Latest news
April 8, 2026
Álex and Alba attend the 5th International Symposium on Photopharmacology in Sète, France.
Àlex and Alba have presented a poster of their latest work at the 5th International Symposium on Photopharmacology.
March 1, 2026
New Member
This past March, a new member has joined the group:
Ahmed Munawir Albarkani, who joins as a predoctoral researcher and will be working with us on his doctoral thesis within the project projecte Abordatge del Càncer com una Malaltia Basada en la Inflamació.
July 11, 2025
Pedro attends the 1st EuChemS School on Computational Chemical Biology
Molecular Dynamics, Cheminformatics, Free-Energy Methods, Machine-Learning Potentials, Coarge-Grained Models, and QM/MM
