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Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors

Fig 2

MD simulation analysis of group-I PAKs.

(A and B) RMSD and RMSF plots for PAK1 (golden) and PAK1^Tpo423 (red), (C and D) RMSD and RMSF plots for PAK2 (dark green) and PAK2^Tpo402 (purple) and (E and F) RMSD and RMSF plots for PAK3 (sky blue) and PAK3^Tpo436 (dark blue), respectively. (G) RMSF values of highly fluctuating residues are plotted and indicated by the corresponding colors.

doi: https://doi.org/10.1371/journal.pone.0225132.g002