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Free energy landscape for the formation of the oligomers with the marked free energy minimum path of the nucleus formation.

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posted on 11.10.2012 by Noah S. Bieler, Tuomas P. J. Knowles, Daan Frenkel, Robert Vácha

The dashed line follows the free energy change to minimum within our largest cluster, where the cluster could also grow into a pentamer with an unknown free energy preference. The different oligomers are denoted as M: monomer, D: dimer, T: trimer, and Q: tetramer. The greek letters designate the composition of the clusters, where stand for random coil, while represents -sheet. The free energy path is schematically depicted at the bottom of the figure, where the state is represented by a blue circle with a red patch and state is displayed as a half orange/half grey circle, which represents the interaction parameters of the employed model. The displayed values are for 0.19 mM concentration.

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