. 2020 Sep 30;11(44):12036–12046. doi: 10.1039/d0sc04641h

Binding affinities of top 10 complexes in SARS-CoV PBD-noBA dataset predicted by our MathDL. “Pred. BA” indicates the predicted binding free energy in kcal mol⁻¹ and “Pred. IC₅₀” is the corresponding IC₅₀ in μM unit via the following conversion: Pred. IC₅₀ = 10^{Pred. BA/1.3633} × 10⁶.

PDBID	Pred. BA	Pred. IC₅₀	PDBID	Pred. BA	Pred. IC₅₀
7c8t	−8.90	0.30	6z2e	−8.43	0.66
5rgl	−8.50	0.58	6xbi	−8.34	0.76
6xhm	−8.50	0.58	6xmk	−8.33	0.78
7bqy	−8.49	0.59	5rh7	−8.32	0.79
5rfr	−8.45	0.63	6xbh	−8.27	0.86

Binding affinities of top 10 complexes in SARS-CoV PBD-noBA dataset predicted by our MathDL. “Pred. BA” indicates the predicted binding free energy in kcal mol−1 and “Pred. IC50” is the corresponding IC50 in μM unit via the following conversion: Pred. IC50 = 10Pred. BA/1.3633 × 106.