Research Article
Simulated Annealing Method for the Automated Simulation of DNA Dynamics in the HhaI Protein Binding Site
Figure 4
The experimental (black) deuterium line shapes with the manual simulation (blue) and automated simulation (red) overlaid for (a) each of the backbone labeled sites in the nonmethylated DNA dodecamer and (b) the C5′/5″-2H in the backbone of methylated C6. Simulation parameters are described in Table 1.
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