Fig. 4. Aqueous exchange between helical and coiled shapes in a model amylose dodecasaccharide 1. (A) Radius of gyration (R g) time series showing μs timescale helix ↔ coil exchange. (B) Computed conformer populations and calculated transition rates between helical and coiled shapes (defined as R g = 13 Å and R g = 8 Å, respectively). Molecular properties were calculated from a 10 μs unbiased explicit solvent simulation.
