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.
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.