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Identification of a Novel Inhibitory Allosteric Site in p38α

Fig 2

Modeling of the peptide-1-p38α complex.

(a) Time evolution of the rmsd of the Cα atoms involved in the segment of the p38α activation loop modelled during the 10ns MD simulation of the dimer. (b) Time evolution of the rmsd of the Cα atoms of peptide-1 along the 200ns MD simulation of the peptide-1-p38α complex.

Fig 2

doi: https://doi.org/10.1371/journal.pone.0167379.g002