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]

@article{SunZZSWZXS18,
  title = {Conformers, properties, and docking mechanism of the anticancer drug docetaxel: DFT and molecular dynamics studies},
  author = {Chuancai Sun and Lijuan Zhu and Chao Zhang and Ce Song and Cuihong Wang and Meiling Zhang and Yaoming Xie and Henry F. Schaefer III},
  year = {2018},
  doi = {10.1002/jcc.25165},
  url = {https://doi.org/10.1002/jcc.25165},
  researchr = {https://researchr.org/publication/SunZZSWZXS18},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {39},
  number = {15},
  pages = {889-900},
}