Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules

Emiliano Brini, S. Shanaka Paranahewage, Christopher J. Fennell, Ken A. Dill. Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules. Journal of Computer-Aided Molecular Design, 30(11):1067-1077, 2016. [doi]

@article{BriniPFD16,
  title = {Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules},
  author = {Emiliano Brini and S. Shanaka Paranahewage and Christopher J. Fennell and Ken A. Dill},
  year = {2016},
  doi = {10.1007/s10822-016-9961-9},
  url = {http://dx.doi.org/10.1007/s10822-016-9961-9},
  researchr = {https://researchr.org/publication/BriniPFD16},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {30},
  number = {11},
  pages = {1067-1077},
}