Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant

Xiao Liu, Lei Zheng, Yalong Cong, Zhihao Gong, Zhixiang Yin, John Z. H. Zhang, Zhirong Liu, Zhaoxi Sun. Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant. Journal of Computer-Aided Molecular Design, 36(12):879-894, 2022. [doi]

@article{LiuZCGYZLS22,
  title = {Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant},
  author = {Xiao Liu and Lei Zheng and Yalong Cong and Zhihao Gong and Zhixiang Yin and John Z. H. Zhang and Zhirong Liu and Zhaoxi Sun},
  year = {2022},
  doi = {10.1007/s10822-022-00487-w},
  url = {https://doi.org/10.1007/s10822-022-00487-w},
  researchr = {https://researchr.org/publication/LiuZCGYZLS22},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {36},
  number = {12},
  pages = {879-894},
}