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. 2022 Jan 11;13:248. doi: 10.1038/s41467-021-27831-2

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Fig. 4 — a, b All-atom (AA) and coarse-grained (CG) models for Zn and Mn monomers. The Zn fiber and the Mn dimer were equilibrated in cyclohexane. c, d The free energy barrier and the CG-time of exchange from the dimer and the fiber tip obtained from infrequent WT-MetaD simulations.