TABLE 3.

Binding energy of HER2-targeted TKIs towards HER2 ex20ins variant G776delinsVC.

Molecule	ΔE ele	ΔE vdw	ΔG bind (MM/PBSA)	ΔG bind (MM/GBSA)
Pyrotinib	−24.64	−69.40	−55.23	−55.94
Afatinib	−25.17	−57.09	−48.50	−50.06
Dacomitinib	−11.66	−58.32	−47.40	−51.94
Poziotinib	−11.80	−53.53	−44.44	−45.36