TABLE 3.

Binding free energy of AS1411-NCL. All the data are calculated based on the 500 snapshots extracted from the last 200 ns trajectory. The unit is kcal/mol.

∆G vdw	∆GSUR	∆Gele	∆GGB	∆Gnon-pol	∆Gpol	∆Gbind
−105.67 ± 7.38	−13.15 ± 0.84	−135.02 ± 39.47	144.54 ± 37.45	−118.82	9.52	−109.30 ± 8.14