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Conformational changes of BM2 protein during simulations in vacuo. (A) Protein Cα atom RMSD as a function of time in DPC (red trace), DHPC (blue trace), and DDM (black trace). (B) Structures of the BM2 helix bundle at the start (cyan) and end (red) of the in vacuo simulations are superimposed. The greatest conformational changes are observed in the zwitterionic detergents DHPC and DPC, whereas the solution-phase conformation is largely maintained in DDM.
