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. 2020 Dec 17;142(52):21829–21841. doi: 10.1021/jacs.0c10461

Figure 5.

Figure 5

(A, B) Configurations of the system sampled in the wt-MetaD simulation projected in the subspace of the biased collective variables: the radius of gyration (Rg) and the interface contact map (CM). (C, D) Free-energy surfaces for the dissociation process projected in the subspace of the biased collective variables. Plots A and C refer to the simulation started from OCPO, and plots B and D refer to the one started from T2.