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. 2012 Jun 19;8(8):2725–2740. doi: 10.1021/ct300323g

Figure 2.

Figure 2

Cluster centroid structures from the last 0.1 μs of the simulations. A single cluster represented all structures in each simulation, and the center structure was extracted. (A) Uncapped peptide. (B) Capped peptide. (C) pThr-80 peptide.