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This is unexpected as the average structure at HT has only antiferroelectric correlations.
Figure 1B shows an expanded view of the average structure at the cross-linked and the neighbor base pairs from the minor groove.
Figure 1A shows an expanded view of the average structure at the cross-linked and neighbor base pairs from the minor groove.
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The native trajectory's structure with the smallest rms deviation from this average structure (recorded at approximately 0.65 µs with an rmsd of approximately 0.15 Å) was selected as the simulation's native state.
These local polar domains are preserved at HT, where the long-range average structure shows no signs of this underlying polar nature.
For Table 5, the average structure rank includes two challenges where the correct structures were ranked at positions 28 and 80.
The PDF of the RMC-refined local structure at RT was compared with the PDF calculated from the supercells of the incommensurate average structure generated using Jana in order to highlight the differences in description of the bonding between the present local structure refinement and the reported average incommensurate structure.
The average structure over the last 5 ns of simulation was used to analyze the interactions at the protein surface.
For each of the clusters the average structure was calculated.
They agreed with the average structure.
Estimate the mean : Recalculate the average structure.
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