TABLE 1.
The binding free energy and the dock score of the best four peptide molecules; P2, P18, P20, and P21
Peptide ID | Sequence | Dock score | Binding free energy of complex (kcal/mol) |
---|---|---|---|
P2 | GIMSSLMKKLKAHIAK | −2,660.34 | −28.15 |
P18 | GILSSLWKKLKKIIAK | −2,815.13 | −37.2 |
P20 | GILSSLLKKWKKIIAK | −2,848.16 | −40.38 |
P21 | GILSSLLKKLKKWIAK | −2,735.49 | −31.17 |