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. 2019 Mar 12;12(1):36. doi: 10.3390/ph12010036

Table 5.

Energy contributions to the free energy binding KasA-compounds.

Compound ΔEvdW ΔEele ΔGGB ΔGNP ΔGbind
ZINC35465970 −45.21 −11.93 32.31 −6.06 −30.90
ZINC31170017 −35.86 −11.48 25.04 −5.18 −27.49