Table 2. Erlotinib-binding energies calculated by Glide, MM/PBSA and FEP for wild-type and L834R EGFR-TKD in the active conformation.

Molecule	Glide [32] score (kcal/mol)	MM/PBSA (kcal/mol)	FEP (kcal/mol)
Wild-type	−9.34	−28.2
L834R	−9.35	−30.7
ΔΔG	−0.01	−2.5	0.83±1.16