Research group
High Performance Computing in Molecular Modelling
Position
PhD student
Biochemistry Bsc in the University of Porto, with a final project (one semester) of computational methods associated with the simulation of a biological system. Biochemistry MSc in the University of Porto, with a thesis concerning a DFT study on carbon nanotube functionalization. Currently, I'm a PhD student in the High Performance Computing in Molecular Modelling research group, at the Faculty of Sciences of the University of Porto, where I'm studying the reaction mechanism of serine hydrolase enzymes using QM/MM MD methods.
Representative Publications
Intramolecular Hydrogen Bonds in Tip-Functionalized Single-Walled Carbon Nanotubes as pH-Sensitive Gates
10.1021/acs.jpca.0c03710
The role of acetylated cyclooxygenase-2 in the biosynthesis of resolvin precursors derived from eicosapentaenoic acid
10.1039/d1ob01932e
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods
10.1039/d4sc02315c
