TABLE 3.
Energy terms (kcal/mol) | Foretinib | 17l |
---|---|---|
VDW energy a | −56.890 ± 1.764 | −58.850 ± 0.765 |
EE energy b | −10.453 ± 1.081 | −9.239 ± 0.510 |
Polar energy c | 41.902 ± 2.074 | 39.615 ± 0.624 |
Apolar energy d | −6.008 ± 0.132 | −5.470 ± 0.058 |
Delta total e | −31.448 ± 1.414 | −33.944 ± 0.961 |
Van der Waal energy.
Electrostattic energy.
Polar solvation energy.
SASA, energy.
Binding energy.