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Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics

Chen, JZ; Wang, W; Sun, HB; Pang, LX; Yin, BH

Chen, JZ (corresponding author), Shandong Jiaotong Univ, Sch Sci, Jinan 250357, Peoples R China.; Yin, BH (corresponding author), Shandong Univ Tradit Chinese Med, Sch Pharm, Jinan 250355, Peoples R China.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020; 34 (12): 1289

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