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Figure 2.
Figure 2. Examples of Anharmonic Residue Probability
Distributions for the Simulated Single- and Multiple-Conformer
Models
The panels on the left show images of the electron
density maps generated from the MD simulations of 1Q4R, along
with a stick representation of the final 16-conformer model. The
panels on the right show, for the red residues, the histograms
of the projections of the simulation coordinates along the first
principal components (shown in black), as well as the
probability density functions calculated from the 1-conformer
(red) and 16-conformer (blue) models along the same axis.
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