Table 5.

Predicted stability and affinity change for clinically identified mutations in ofloxacin resistant M. leprae strains.

Mutations in GYR	mCSM (ΔΔG in kcal/mol)	Prime MM/GBSA (ΔΔG in kcal/mol)	mCSM-NA (ΔΔG in kcal/mol)	mCSM-PPI (ΔΔG in kcal/mol)	DynaMut (ΔΔG in kcal/mol)	Overall Impact	Reference
A91T	−0.70	−8.54	1.48	−0.28	−0.66	High Impact	[54]
A91V	−0.32	5.43	0.44	−0.59	−0.27	High Impact	[50]
S92A	−0.60	−12.35	−1.09	0.20	1.55	High Impact	[54]
R107L	−0.50	−6.33	−1.53	0.12	−0.26	Moderate Impact	[49]