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Profiles of RMSD, radius of gyration, the fraction of native contact, and F1 score of PaCS-MD and TS-MD in (a) Chignolin folding and (b) Trp-cage folding as a function of the number of MD iterations. The simulation time of one short MD was 100 ps for both PaCS-MD and TS-MD. The total simulation times of one trial for Chignolin and Trp-cage foldings were 200 and 400 ns, respectively. Ten trials were performed for each method, and different colors indicate different trials.
