Table 1.

Free binding energy calculations in kcal/mol for mobocertinib and CLN-081 for the indicated mutations using MM/GBSA and MM/PBSA

Binding Energy	S768dupSVD(near)		H773insNPH (far)		Δ (far-near)
kcal/mol	MM/GBSA	MM/PBSA	MM/GBSA	MM/PBSA	MM/GBSA	MM/PBSA
Mobocertinib	− 45	− 38	− 49	− 41	− 4	-3
Zipalertinib	− 35	− 32	− 31	− 28	4	4