Energetic components of the binding free energy (kcal mol⁻¹) for SARS-CoV-2-inhibitor complexes calculated using MM-PBSA.

Components	Neocryptomerin	Isocryptomerin	Hinokiflavone	Amentoflavone
ΔEvdw	−37.62	−7.66	−41.06	−44.08
ΔEele	0.35	−3.33	−8.45	−16.36
ΔGpol	27.91	12.12	32.90	43.96
ΔGnp	−3.71	−0.82	−3.90	−4.079
ΔGbind	−13.10	0.30	−20.50	−20.56