Fig. 2: Spin relaxation times of SDS micelles in water at 307 K. | Communications Chemistry

Fig. 2: Spin relaxation times of SDS micelles in water at 307 K.

From: Probing the dynamic landscape of peptides in molecular assemblies by synergized NMR experiments and MD simulations

Fig. 2

a Snapshots from MD simulations showing the gel-like phase for Amber simulations and liquid-like phase for CHARMM36 simulations. b Deuterium T1 and T2 spin relaxation data from experiments18 and MD simulations for isotopically labelled α, γ and ω segments. c Chemical structure of SDS with the assignment of labelled segments. d Effective correlation times, τeff, of each C-H bond in SDS molecules from MD simulations.

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