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PhD Student

Henrique S. Fernandes is a PhD student (FCT grant) at BioSIM. He is currently assigned to the Chemistry (Theoretical Chemistry and Molecular Modeling) PhD programme of the Faculty of Sciences and Faculty of Engineer of the University of 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).


Full List of Publications: