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Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics

Fig 9

Variability of helical parameters depending on conformational combinations of facing phosphate linkages.

The standard deviations of slide (SDSlide), roll (SDRoll) and twist (SDTwist) associated to the three possible combinations of facing phosphates are shown for representative steps, CpG•CpG in P-MDs and C-MDs of Oligos 1, 3 and 4 (green), GpC•GpC in P-MDs of Oligos 1, 2, 3 and 4 (violet) and TpA•TpA in C-MDs of Oligos 1, 3 and 4 (orange). Steps with the largest sampling of BII•BII (1.1 to 2.9%), were selected from P-MDs and C-MDs (7.5 to 21.8%). Top panels: P-MDs; bottom panels: C-MDs.

Fig 9

doi: https://doi.org/10.1371/journal.pcbi.1004631.g009