TABLE2.

The average of binding free energy of DNMT1 complex obtained using Amber20 (kcal/mol).

Complex	Energy Component
	ΔEvdw	ΔEele	ΔGgas	ΔGsolv	ΔGbind
DNMT1-Catalpol	−28.31	−20.02	−48.33	34.08	−14.25
DNMT1-Zingerone	−18.46	−9.43	−27.88	14.09	−13.80
DNMT1-Alisol A	−43.94	−44.50	−88.44	48.39	−40.05
DNMT1-Emodin	−35.42	−21.25	−56.68	29.12	−27.56
DNMT1-Taxifolin	−25.82	−61.06	−86.88	59.52	−27.35
DNMT1-Isoliquiritigenin	−30.19	−39.22	−69.41	48.79	−20.61
DNMT1-Schisandrin C	−38.53	−7.96	−46.49	21.31	−25.18