EGFR Mutant Structural Database: computationally predicted 3D structures and the corresponding binding free energies with gefitinib and erlotinib

Table 5 Binding free energies of WT EGFR-drug complex and several common mutation-drug complexes

EGFR	Binding free energy with gefitinib (kcal/mol)			Binding free energy with erlotinib (kcal/mol)
EGFR	Total	SD	SEM	Total	SD	SEM
WT	−43.8839	2.7576	0.1950	−41.2009	3.0544	0.2160
L858R	−46.0101	2.7728	0.1961	−45.1344	2.6856	0.1899
delE746_A750	−35.2995	2.9642	0.2096	−44.6007	3.3339	0.2357
delL747_P753insS	−28.5837	3.6056	0.2550	−38.1157	3.0238	0.2138
delE746_S752insV	−42.7755	3.1422	0.2222	−33.2645	2.9925	0.2116
G719S	−35.4427	2.7781	0.1964	−43.4964	3.3155	0.2344

ISSN: 1471-2105