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. 2021 Oct 27;118(44):e2113533118. doi: 10.1073/pnas.2113533118

Fig. 3.

Fig. 3

(A) Time evolution of the ψ-angle in the exploratory simulation driven by ψ. The points are colored with the values of the ϕ-angle. (B) Time evolution of the ϕ-angle in the final Deep-TICA simulation, colored with the value of Deep-TICA 1. This results in a diffusive simulation similar to the previous example, which is even more impressive here given the poor quality of the exploratory sampling.