Table 3.

Binding free energy calculation of p53-AS-IV complex.

Energy component	Energy (kcal/mol)
ΔVDWAALS	− 61.81 ± 2.23
ΔEEL	− 39.06 ± 4.8
ΔEGB	62.18 ± 1.34
ΔESURF	− 8.82 ± 0.04
ΔGGAS	− 100.87 ± 5.3
ΔGSOLV	53.35 ± 1.34
ΔTOTAL	− 47.52 ± 5.47

ΔVDWAALS Van der Waals energy, ΔEEL Electrostatic energy, ΔEGB polar solvation free energy, ΔESURF non-polar solvation energy, ΔGGAS energy in the gas phase = ΔVDWAALS + ΔEEL, ΔGSOLV solvation free energy = ΔEGB + ΔESURF, ΔTOTAL total binding free energy = ΔGGAS + ΔGSOLV.