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A molecular dynamics investigation into the mechanisms of alectinib resistance of three ALK mutants |
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| Authors: | Muyang He Weikang Li Qingchuan Zheng Hongxing Zhang |
| Affiliation: | 1. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano‐Micro Architecture Chemistry, Jilin University, Changchun, People's Republic of China;2. Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun, People's Republic of China |
| Abstract: | |
| Keywords: | alectinib ALK drug‐resistance mutation MD simulation MM‐GBSA NSCLC |