NMR imino proton exchange experiments on duplex DNA primarily monitor the opening of purine bases.

@article{Priyakumar2006NMRIP,
  title={NMR imino proton exchange experiments on duplex DNA primarily monitor the opening of purine bases.},
  author={U. Deva Priyakumar and Alexander D. MacKerell},
  journal={Journal of the American Chemical Society},
  year={2006},
  volume={128 3},
  pages={
          678-9
        }
}
Molecular dynamics simulations were performed to investigate GC and AT base opening events in DNA. Calculated equilibrium constants between the base open (or flipped) and closed states were shown to be in good agreement with experimental data from NMR imino proton exchange experiments. Analysis of the computed results indicates that the equilbrium constants are dominated by the opening of the A and G bases in the AT and GC base pairs, respectively. Thus, the present results predict that NMR… CONTINUE READING
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