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. 2021 Dec 14;4:10–20. doi: 10.1016/j.crstbi.2021.12.002

Fig. 3.

Fig. 3

2D potential of mean force (PMF) free energy profiles of the core RNA backbone RMSD relative to the first NMR conformation (PDB: 2RS2) and number of native contacts between MSI1 and Numb RNA are calculated from GaMD simulations started from the (A) Bound and (B) Unbound states of the MSI1-Numb system.