Research group
High Performance Computing in Molecular Modelling
Position
PhD student
João Sousa is graduated in Biochemistry and also holds an MSc degree in Biochemistry for the Faculty of Sciences of the University of Porto. In 2019, he received a PhD grant from the Fundação para a Ciência e Tecnologia, Portugal. His main research interest is the study of enzymatic catalysis using high accuracy computational methods. Since 2017, he has been studying the catalytic mechanism of enzymes by using mainly hybrid Quantum Mechanics and Molecular Mechanics methods.
Representative Publications
Reaction Mechanism and Determinants for Efficient Catalysis by DszB, a Key Enzyme for Crude Oil Bio-desulfurization
10.1021/acscatal.0c03122
