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.