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. 2012 Jan 20;7(1):e30259. doi: 10.1371/journal.pone.0030259

Table 2. The binding energies and corresponding ΔEa upon the inclusion complex of dsRNA-ligands (a and b).

acomplex BE(kcal.mol−1) bcomplex BE(kcal.mol−1) ΔEd(kcal.mol−1)
U1a −3.94 U1b −4.83 0.89
U2a −3.91 U2b −5.22 1.31
U3a −3.63 U3b −5.17 1.54
U4a −3.88 U4b −5.02 1.14
N1a −4.46 N1b −5.64 1.18
N2a −4.26 N2b −5.32 1.06
N3a −4.05 N3b −5.35 1.30
N4a −3.96 N4b −5.29 1.33

BE: binding energy upon complex; ΔEd: Energy difference value between acomplex and bcomplex; Dai(a); Kae(b); U1–U4: dsRNA with UUU triplets; N1–N4: dsRNA without UUU triplets;

a

complex: ligand a binding with U1–U4 and N1–N4, respectively;

b

complex: ligand b binding with U1–U4 and N1–N4, respectively.