ALK	Anaplastic lymphoma kinase
NSCLC	Non-small cell lung cancer
TKI	Tyrosine kinase inhibitor
PCA	Principal component analysis
MD	Molecular dynamics
RMSD	Root-mean-square deviation
RMSF	Root-mean-square fluctuation
MM/GBSA	Molecular mechanics/generalized Born surface area
AUC	Area under the curve
ROC	Receiver operating characteristic
ADMET	Absorption, distribution, metabolism, excretion, and toxicity