Table 2.

Average end state free energies (MM-PBSA) in kcal/mol along with the standard deviation for all the variants during three independent simulation runs.

Simulation run	WT	Delta	Omicron
I	−58.31 ± 9.78	−37.82 ± 12.67	−36.14 ± 8.75
II	−36.26 ± 7.94	−49.36 ± 12.69	−22.57 ± 10.85
III	−39.64 ± 11.81	−53.99 ± 15.07	−28.35 ± 8.88
Average	−44.74 ± 9.85	−47.06 ± 13.48	−29.02 ± 9.5