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Figure 5
Superimposed first and last frame coordinates of MDM2/apo (turquoise) and MDM2/p53 (blue). In addition to generating the movie of the motion along the first eigenvector, Dynamite also provides the atomic coordinates of this motion for analysis by hand. This figure shows (a) the superimposed mean structures from the ensembles of MDM2/apo and MDM2/p53 (equivalent to the first frame of the returned movies) and (b) the superimposed mean structures of MDM2/apo and MDM2/p53 offset according to the first eigenvectors of the covariance matrix (equivalent to the last frame of the returned movies). This figure emphasizes that the principal difference between the two ensembles relates to the envelope of configurations that they explore rather than to their average structure.

Journal logoBIOLOGICAL
ISSN: 1399-0047
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