Phys. Rev. E 69, 051917 (2004) [8 pages]Folding and form: Insights from lattice simulationsReceived 16 December 2003; revised 5 February 2004; published 28 May 2004 Monte Carlo simulations of a Miyazawa-Jernigan lattice-polymer model indicate that, depending on the native structure’s geometry, the model exhibits two broad classes of folding mechanisms for two-state folders. Folding to native structures of low contact order is driven by backbone distance and is characterized by a progressive accumulation of structure towards the native fold. By contrast, folding to high contact order targets is dominated by intermediate stage contacts not present in the native fold, yielding a more cooperative folding process. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevE.69.051917
DOI:
10.1103/PhysRevE.69.051917
PACS:
87.15.Cc, 91.45.Ty
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