Table 3. Summary of BE Electrostatic Energy, van der Waals Energy, Polar Solvation Energy, and SASA Energy of BB-IV-46 and BB-V-19 in Complex with RBD.

s. no.	RBD–ligand complex	binding energy (kJ/mol)	van der Waals energy (kJ/mol)	electrostatic energy (kJ/mol)	polar solvation energy (kJ/mol)	SASA energy (kJ/mol)
1	BB-IV-46	–127.089	–157.274	–83.838	128.902	–14.879
2	BB-V-19	–29.365	–59.666	–65.636	105.339	–9.402