Academic
I got a degree in chemistry at the University of Porto, Portugal, in 1993. After teaching chemistry in high school for three years, I started my Ph.D. studies (1997) under the supervision of Prof. José Gomes. The subject of my work has been simulations of liquid|liquid Interfaces and ion transfer across them. Upon finishing my Ph.D. (2000), I became an Assistant Professor at the Chemistry Department of the Faculty of Sciences of Porto, Portugal. I am now a Full Professor of the same Faculty.I teach courses for the degrees and MSc in Chemistry, Biochemistry, and Bioinformatics, mainly in quantum chemistry, computational biochemistry, and drug discovery.
Research
My research began with a brief passage through path integral Monte Carlo simulations. Afterward, I spent a few (Ph.D.) years dedicated to classical molecular dynamics simulations of liquid|liquid interfaces and ion transfer across liquid phases. Finally, my interests shifted toward biological systems after finishing my Ph.D.
I now research enzymes' reaction mechanisms using QM/MM methods. In recent years, my research has also focused on the relationship between enzyme flexibility, reaction rate, and computational enzyme evolution through rational enzyme engineering.
Other research areas I work in include the energetics and dynamics of proteins; diffusion of small druglike molecules across biomembranes; molecular dynamics free energy calculations in proteins; molecular docking; and drug discovery.
My recent projects apply the abovementioned methods to manage several societal problems. Specifically, I am working on understanding snake venom chemistry and its molecular mechanisms of pathophysiology. In addition, I am developing new antidotes against snakebite envenoming, the most problematic Neglected Tropical Disease, and turning snake venom components into new therapeutic drugs.
I am also working on new methods for plastic bio-recycling using enzymatic methods. I work to discover new plastic-degrading enzymes and the engineering of know enzymes to make them more suitable for application at an industrial scale.
