Table 3.

Free energy differences from MD/TI calculations^a

	ΔG duplex (12-mer) RNA·ANA→ RNA·2′F-ANA	ΔG single strand (12-mer) ANA→2′F-ANA	ΔΔG(binding) ANA→2′F-ANA	ΔG single strand (5-mer) ANA→2′F-ANA	ΔΔG(binding) ANA→2′F-ANA
Entire oligo	−204.3 ± 0.3	−188.1 ± 0.3	−16.2 ± 0.6	−78.8 ± 0.2	–
Per substituted sugar	−17.0 ± 0.3	−15.7 ± 0.3	−1.3 ± 0.6	−15.8 ± 0.2	−1.2 ± 0.5

^aFree energy differences of the ANA→2′F-ANA mutation in a 12-mer and 5-mer. Values were computed for both duplex and single strand forms (12-mer) or single strand form only (5-mer) and subtracted to obtain ΔΔG. All values are in kcal/mol.