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PCA of HDAC3. First two principal components were calculated from apo HDAC3 Cα dynamics. Structural ensembles of HDAC3 Cα atoms from (A) apo HDAC3, (B) HDAC3:IP4, (C), HDAC3:DAD, and (D) HDAC3:DAD:IP4 simulations were projected onto these two principal components. A yellow diamond in each graph marks the crystal structure conformation of HDAC3 for reference. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]
