(3 – 4 months 5,000 – 10,000 mutants)

Molecular modelling, molecular docking, molecular dynamics, quantum mechanics and bioinformatic tools are used to sample the sequence space of the enzyme with the goal of identifying the enzyme hotspots, which are targeted for site saturation mutagenesis. All mutants are cloned, expressed and screened on an amino acid site by site basis for improvements in the reaction of interest.