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. 2019 Nov 28;48(2):924–933. doi: 10.1093/nar/gkz1096

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© The Author(s) 2019. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 3. — (A, B) Dihedral angle d1 between the aromatic purine scaffold and the isoindoline nitroxide plane of the two s in dsDNA and dsRNA during the MD simulations. (C, D) Potential of mean force profiles for rotations of inside the minor grooves of dsDNA and dsRNA. Note that the dsDNA sequence is not palindromic, unlike the dsRNA sequence, explaining the small difference between the two profiles in C. Shaded areas represent the minimum and maximum values of blocking analysis, using 10 blocks. (E) Rotation from syn to anti conformation of dihedral angle d1. is shown as sticks, and surrounding DNA bases are shown as cartoon.

Inline graphic — (A, B) Dihedral angle d1 between the aromatic purine scaffold and the isoindoline nitroxide plane of the two s in dsDNA and dsRNA during the MD simulations. (C, D) Potential of mean force profiles for rotations of inside the minor grooves of dsDNA and dsRNA. Note that the dsDNA sequence is not palindromic, unlike the dsRNA sequence, explaining the small difference between the two profiles in C. Shaded areas represent the minimum and maximum values of blocking analysis, using 10 blocks. (E) Rotation from syn to anti conformation of dihedral angle d1. is shown as sticks, and surrounding DNA bases are shown as cartoon.