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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 6. Comparison of computed free energies of stacking, ΔGstack, in tetranucleotides and dinucleoside monophosphates (DNMPs).

Figure 6

A. Plot of computed ΔGstack values in DNA DNMPs versus the corresponding ΔGstack values computed here fosr the central bases (i.e. the 2–3 stacking inteaction) of DNA tetranucleotides. Each datapoint represents a different sequence (AA, AC etc); error bars represent standard deviations calculated for all simulations of all tetranucleotides possessing the same 2–3 sequence. Line shows linear regression y = mx + b with m = 0.60 (p-value = 0.0002) and b = −0.89 (p-value < 0.0001). Data for the DNMPs are taken from ref. 25. B. Same as A but showing results for RNAs. Parameters for the linear regression are m = 0.58 (p-value = 0.0008) and b = −0.74 (p-value = 0.0001).