Identification of 2,4-diarylaminopyrimidine analogues as ALK inhibitors by using 3D-QSAR, molecular docking, and molecular dynamics simulations

Dandan Li1, Fulong Wu1, Zhonghua Wang1,2, Leilei Huang1, Yan Yin, Fanhong Wu1
1School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, People’s Republic of China
2Shanghai Engineering Research Center of Pharmaceutical Progress, Shanghai, China

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