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  • Title: Effect of single-site mutations on hydrophobic-polar lattice proteins.
    Author: Shi G, Vogel T, Wüst T, Li YW, Landau DP.
    Journal: Phys Rev E Stat Nonlin Soft Matter Phys; 2014 Sep; 90(3):033307. PubMed ID: 25314564.
    Abstract:
    We developed a heuristic method for determining the ground-state degeneracy of hydrophobic-polar (HP) lattice proteins, based on Wang-Landau and multicanonical sampling. It is applied during comprehensive studies of single-site mutations in specific HP proteins with different sequences. The effects in which we are interested include structural changes in ground states, changes of ground-state energy, degeneracy, and thermodynamic properties of the system. With respect to mutations, both extremely sensitive and insensitive positions in the HP sequence have been found. That is, ground-state energies and degeneracies, as well as other thermodynamic and structural quantities, may be either largely unaffected or may change significantly due to mutation.
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