TABLE 2.

Free energy of binding for the FAS2a-AChE and the FAS2b-AChE

Molecule	〈UMM〉*	〈WPB〉†	〈WNP〉‡	〈GMMPBSA〉§
FAS2a	−1932	−991	22	−2901
AChE	−17,310	−5273	108	−22,475
FAS2a-AChE	−20,339	−5185	118	−25,406
FAS2b	−1906	−1006	23	−2887
AChE	−17,367	−5266	108	−22,525
FAS2b-AChE	−20,411	−5157	117	−25,451

^*Molecular mechanic energy.

^†Electrostatic solvation energy.

^‡Nonpolar solvation energy.

^§Molecular mechanics PB solvent accessible energy: G_MMPBSA = U_MM + W_PB + W_NP.