Innovative Therapies

Rational Protein Engineering


Rational Design

Quantum Mechanics/Molecular Mechanics (QM/MM)

Molecular Dynamics (MD)

Research lines

Development of genetic tools

Development of enzymes for the biosynthesis of biodegradable polyesters.


The research in the Rational Protein Engineering (RPE) group is focused in the design of enzymes with increased activities, new specificities and improved selectivities. Computational biochemistry methods, which include Molecular Docking, Molecular Dynamics and Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are employed using our developed protocols in the study of enzyme binding, catalysis and dynamics and in the design of new variant enzymes with the desired properties.

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