Phase Diagram of alpha-Helical and beta-Sheet Forming Peptides

Details Phase Diagram of alpha-Helical and beta-Sheet Forming Peptides Phase Diagram of alpha-Helical and beta-Sheet Forming Peptides

2010-06-07

arxiv.org/abs/1006.1212v1

S. Auer and D. Kashchiev, Phys. Rev. Lett., 104, 168105 (2010)

Biology

Quantitative Biology

Biomolecules

Scientific paper

10.1103/PhysRevLett.104.168105

The intrinsic property of proteins to form structural motifs such as alpha-helices and beta-sheets leads to a complex phase behavior in which proteins can assemble into various types of aggregates including crystals, liquidlike phases of unfolded or natively folded proteins, and amyloid fibrils. Here we use a coarse-grained protein model that enables us to perform Monte Carlo simulations for determining the phase diagram of natively folded alpha-helical and unfolded beta-sheet forming peptides. The simulations reveal the existence of various metastable peptide phases. The liquidlike phases are metastable with respect to the fibrillar phases, and there is a hierarchy of metastability.

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