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Assessment of ab initio models of protein complexes by molecular dynamics

Fig 6

RMSD from the reference experimental structure as a function of time along simulations at 303 K for the models of Efb-C:C3d complex.

Model r1 (blue) is close to the experimental structure and stays stable throughout the simulation. The trajectory starting from model r18 (orange) converges to the correct structure after about 30 ns.

Fig 6

doi: https://doi.org/10.1371/journal.pcbi.1006182.g006