Uncovering the molecular basis for the better Gefitinib sensitivity of EGFR with complex mutations over single rare mutation: insights from molecular simulations

Molecular Dynamics trajectories and topology files of APO and Gefitinib(IRE)-bound Epidermal growth factor receptor (EGFR) mutants: rare (G719S), rare + rare (G719S/L861Q) and rare + classical (G719S/L858R). The trajectories presented in this work were analyzed and presented in "Uncovering the molecular basis for the better Gefitinib sensitivity of EGFR with complex mutations over single rare mutation: insights from molecular simulations".