Computational Biology @ UC

Rational Protein Engineering


The research in the Rational Protein Engineering group is focused in the rational design of enzymes with increased activities, new specificities and improved selectivities. Our expertise in computational enzymology is employed in the study of enzyme binding, catalysis and dynamics. We also collaborate with academic and industrial partners to test, implement and scale-up biocatalytic processes using rationally designed enzymes

site: www.atpcarvalho.com

Core competences

  • Studies of catalytic mechanisms using Quantum Mechanics/Molecular Mechanics (QM/MM) method 

  • Computational guided mutagenesis

  • Integration of computational predictions with experimental validation

  • Development of molecular mechanics parameters for complex enzymatic systems

  • Molecular docking and molecular dynamics

Research Interests

  • Rational design of new endonucleases with increased DNA specificity

  • Rational design of new enzymes for designer biopolymers