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. Author manuscript; available in PMC: 2014 Oct 3.

Published in final edited form as: J Phys Chem B. 2013 Sep 12;117(39):11448–11459. doi: 10.1021/jp402589x

Snapshots from all-atom MD simulations of micelle-bound αS. Snapshots for (a) αS^SDS_NC, (b) αS^SLAS_NC and (c) αS^SLAS_CN during the simulation (0–100 ns). The micelle surface is shown in grey, α-helix in red, 3₁₀-helix in blue, β-sheet in yellow, and turn and coil in green. Protein secondary structures were classified with the program STRIDE.⁷⁰