Research group
High Performance Computing in Molecular Modelling
Position
PhD student
João Sousa is a Junior Researcher at LAQV-REQUIMTE. He employs multiscale modelling methods for studying the catalytic mechanisms of enzymes with high biotechnological interest, such as in the crude oil biodesulfurization or the biosynthesis of opioid drugs.
After finishing his PhD In 2024, he has worked as a Scientific Consultant for SYENSQO and is currently focused in large drug discovery campaigns using a combined Machine Learning - Molecular Modeling approach , in the scope of his Stimulus of Scientific Employment Call project.
Representative Publications
Reaction Mechanism and Determinants for Efficient Catalysis by DszB, a Key Enzyme for Crude Oil Bio-desulfurization
10.1021/acscatal.0c03122