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
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
ACS Catalysis
Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5-Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access
Latest News
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.
January 21st, 2025
Protein Science cover
After publishing in the January issue of Protein Science we have the pleasure of being the cover of the February issue.
Januart 17th, 2025
Pedro presents his Master Thesis
Today, Pedro Martínez Zaragoza presented his Master’s Thesis at the University of Barcelona entitled Allosteric Regulation of hALOX12 Catalysis in the Competitive Epoxidation/Oxygenation Pathways of 14S-HpDHA
