a prediction and protonation state generation for drug-like molecules

John C. Shelley, Anuradha Cholleti, Leah L. Frye, Jeremy R. Greenwood, Mathew R. Timlin, Makoto Uchimaya. a prediction and protonation state generation for drug-like molecules. Journal of Computer-Aided Molecular Design, 21(12):681-691, 2007. [doi]

@article{ShelleyCFGTU07,
  title = {a  prediction and protonation state generation for drug-like molecules},
  author = {John C. Shelley and Anuradha Cholleti and Leah L. Frye and Jeremy R. Greenwood and Mathew R. Timlin and Makoto Uchimaya},
  year = {2007},
  doi = {10.1007/s10822-007-9133-z},
  url = {http://dx.doi.org/10.1007/s10822-007-9133-z},
  researchr = {https://researchr.org/publication/ShelleyCFGTU07},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {21},
  number = {12},
  pages = {681-691},
}