Fig. 4: Decorrelation curves of protein systems. | Communications Chemistry

Fig. 4: Decorrelation curves of protein systems.

From: Convergence and equilibrium in molecular dynamics simulations

Fig. 4

The studied magnitudes are: dihedral angle ψ (dialanine), end-to-end distance (Trp-cage, Vhp, GAAC), inter-domain separation (Barnase, Elastase, PGK, 3CLpro). a: Decorrelation curves for three properties of 3CLpro. b: detail of PGK’s decorrelation curves, from this work and from Hu et al.3.

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