Computational simulation of the statistical properties of unfolded proteins.

  title={Computational simulation of the statistical properties of unfolded proteins.},
  author={David P. Goldenberg},
  journal={Journal of molecular biology},
  volume={326 5},
A simple Monte Carlo method was used to generate ensembles of simulated polypeptide conformations that are restricted only by steric repulsion. The models used for these simulations were based on the sequences of four real proteins, ranging in size from 26 to 268 amino acid residues, and included all non-hydrogen atoms. Two sets of calculations were performed, one that included only intra-residue steric repulsion terms and those between adjacent residues, and one that included repulsion terms… CONTINUE READING

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