Researcher
Henrique S. Fernandes holds a PhD in Chemistry, in the speciality of Theoretical Chemistry and Molecular Modelling, from the Faculty of Sciences and Faculty of Engineer of the University of Porto, following an M.Sc. and B.Sc in Biochemistry (U.Porto).
His main goal is studying the catalytic mechanism of pyridoxal-5´-phosphate (PLP) dependent enzymes through QM/MM methodologies. Moreover, he also develops software to automatize and simplify the study of this type of molecular systems.
Main Publications:
Catalytic Mechanism of the Serine Hydroxymethyltransferase: A Computational ONIOM QM/MM Study
H. S. Fernandes, M. J. Ramos, N. M. F. S. A. Cerqueira
ACS Catalysis pp.10096-10110 (2018).
molUP: A VMD plugin to handle QM and ONIOM calculations using the Gaussian software
H. S. Fernandes, M. J. Ramos, N. M. F. S. A. Cerqueira
J. Comput. Chem. (2018).