TABLE 4.

Binding energy of HER2-targeted TKIs towards HER2 ex20ins variant A775_G776insYVMA.

Molecule	ΔE ele	ΔE vdw	ΔG bind (MM/PBSA)	ΔG bind (MM/GBSA)
Pyrotinib	−23.62	−73.87	−51.23	−57.91
Afatinib	−16.51	−53.25	−43.65	−46.42
Dacomitinib	−14.37	−51.38	−41.10	−41.73
Poziotinib	−4.61	−55.73	−37.41	−42.83