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
July 11st, 2025
El 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
July 1st, 2025
Álex attends the XL Biennial of the RSEQ
Today, Álex presented his latest work at the Computational Chemical Dynamics symposium.
March 1st, 2025
New Members
During these months, two new members have joined the group:
Alba Villar Yanez joins as a postdoctoral researcher to work with photoactivatable drugs.
Pedro Martínez Zaragoza who joins as a predoctoral researcher and will be with us working on his doctoral thesis within the project Approaching Cancer as an Inflammation-Based Disease.
