Table 1 Hawkins GB/SA score of top five docking poses.

From: Prediction of the binding mechanism of a selective DNA methyltransferase 3A inhibitor by molecular simulation

Rank

Hawkins GB/SA score (kcal/mol)

No. 1

– 58.16

No. 2

– 53.15

No. 3

– 52.39

No. 4

– 52.25

No. 5

– 52.23