"New view" of protein folding reconciled with the old through multiple unfolding simulations.

  title={"New view" of protein folding reconciled with the old through multiple unfolding simulations.},
  author={Themis Lazaridis and Martin Karplus},
  volume={278 5345},
Twenty-four molecular dynamics trajectories of chymotrypsin inhibitor 2 provide a direct demonstration of the diversity of unfolding pathways. Comparison with experiments suggests that the transition state region for folding and unfolding occurs early with only 25 percent of the native contacts and that the root-mean-square deviations between contributing structures can be as large as 15 angstroms. Nevertheless, a statistically preferred unfolding pathway emerges from the simulations… CONTINUE READING

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