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. 2022 Apr 6;10:815534. doi: 10.3389/fchem.2022.815534

TABLE 3.

Predicted free energies (kcal/mol) for binding of foretinib and 17l to c-Met kinase.

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
Note. a

Van der Waal energy.

b

Electrostattic energy.

c

Polar solvation energy.

d

SASA, energy.

e

Binding energy.