Table 4.

The root mean square deviation (RSMD) and binding affinities of the redocked cocrystalized ligands.

Target (PDB ID)	RMSD	Binding energy (kcal/mol)
Polyketide synthase 13 (5V3Y)	0.8288	−28.2653
ATP synthase (3A4R)	0.7076	−37.9922