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. Author manuscript; available in PMC: 2022 Feb 24.
Published in final edited form as: Chem Rev. 2021 Jan 11;121(4):2292–2324. doi: 10.1021/acs.chemrev.0c01087

Figure 14.

Figure 14.

Cyclo-(sarcosine8) adopted a heterogeneous structural ensemble in the REMD simulations with about 30 cis/trans isomers within 5 kcal/mol, consistent with the ambiguous isomeric states observed in NMR.251,254