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

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Jianzhong Chen, Wei Wang, Haibo Sun, Laixue Pang, Baohua Yin. Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics. Journal of Computer-Aided Molecular Design, 34(12):1289-1305, 2020. [doi]

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