Observed intermolecular NOEs in the <i>trans</i>-B[<i>a</i>]P-dG:AB duplex and achieved distances from the representative structures in the restrained MD simulation.<i><sup>a</sup></i>
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a Experimentally observed NOEs were employed as restraint bounds in the distance restrained MD simulation. The bounds assigned based on the observed intensities are: [S] = 2.5–3.5 Å [M] = 3.5–4.5 Å, [W] = 4.5–6.0 Å, [M-W] = 3.5–6.0 Å. S = strong, M = medium, W = weak. Observed intermolecular NOEs in the trans-B[a]P-dG:AB duplex and achieved distances from the representative structures in the restrained MD simulation.a
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2015-09-04
