Conformers, properties, and docking mechanism of the anticancer drug docetaxel: DFT and molecular dynamics studies

Chuancai Sun, Lijuan Zhu, Chao Zhang, Ce Song, Cuihong Wang, Meiling Zhang, Yaoming Xie, Henry F. Schaefer III. Conformers, properties, and docking mechanism of the anticancer drug docetaxel: DFT and molecular dynamics studies. Journal of Computational Chemistry, 39(15):889-900, 2018. [doi]

Abstract

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