Computational grounding of point mutagenesis to enhance the thermostability of human peroxiredoxin 6

In this study an algorithm for increasing the thermostability of the globular human peroxyredoxin 6 antioxidant enzyme is described. A recombinant form of this protein was produced based on the analysis of the amino-acid composition of this enzyme in rats ( Rattus rattus ). The original concept of increasing the thermostability of small globular proteins using alternative hydrogen bonding of the peripheral acidic and basic amino-acid residues was substantially improved by GPU-accelerated molecular-dynamics simulations.