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. Author manuscript; available in PMC: 2016 Mar 24.
Published in final edited form as: J Chem Theory Comput. 2015 Nov 18;11(12):5906–5917. doi: 10.1021/acs.jctc.5b00899

Figure 1. Native stacking in simulations starting from natively stacked conformations.

Figure 1

A. Percent of conformations that are fully natively stacked in production simulations; each symbol represents a different tetranucleotide; the asterisk marks the anomalously behaving d(GGAA) tetranucleotide. B. Same as A but with results grouped and averaged by the number of purines in the sequence. C. Snapshot showing the stable, non-native stacking arrangement adopted by d(GGAA); residues are colored using rainbow ordering: G1(blue), G2 (green), A3 (yellow), A4 (red).