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

Table 1. The binding energies and corresponding ΔEa upon the inclusion complex of fsRNA-ligands (a and b).

Ra complex BE(kcal.mol−1) Rb complex BE(kcal.mol−1) ΔEd(kcal.mol−1)
R1a −3.18 R1b −3.64 0.46
R2a −3.46 R2b −3.70 0.24
R3a −3.89 R3b −5.04 1.15

BE: binding energy upon complex; ΔEd: Energy difference value between Rb and Ra complex; Dai(a); Kae(b); fsRNA1(R1); fsRNA2(R2); fsRNA3(R3); Ra complex: ligand a binding with R1,R2 and R3, respectively; Rb complex: ligand b binding with R1,R2 and R3, repectively.