IPRO redesigns proteins to increase or give specificity to native or novel substrates and cofactors. This is done by repeatedly randomly perturbing the backbones of the proteins around specified design positions, identifying the lowest energy combination of rotamers, and determining if the new design has a lower binding energy than previous ones. The iterative nature of this process allows IPRO to make additive mutations to the protein sequence that collectively improve the specificity towards the desired substrates and/or cofactors.
Saraf, M.C., G.L. Moore, N.M. Goodey, V.Y. Cao, S.J. Benkovic and C.D. Maranas (2006), "IPRO: An Iterative Computational Protein Library Redesign and Optimization Procedure", Biophysical Journal, 90, 4167-4180.
Fazelinia, H., P.C. Cirino and C.D. Maranas (2007), "Extending Iterative Protein Redesign and Optimization (IPRO) in protein library design for ligand specificity", Biophysical Journal, 92(6), 2120-2130.
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