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. 2023 Nov 21;20(4):1717–1731. doi: 10.1021/acs.jctc.3c00525

Table 2. Nonbonded Interaction Parameters for Stacking Interactions Associated with Equation 4.

  Stacking
  Stacking
Base pair σstack (Å) δstack (kcal/mol) Base pair σstack (Å) δstack (kcal/mol)
A-A 3.6 9.7 T-C 3.6 6.9
A-T 3.6 8.6 T-G 3.6 9.2
A-C 3.6 7.8 C-C 3.6 6.2
A-G 3.6 10.3 C-G 3.6 8.3
T-T 3.6 7.7 G-G 3.6 11.0
rstack (Å) = 6.2