Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics

Ya Wen Hsiao, Pär Söderhjelm. Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics. Journal of Computer-Aided Molecular Design, 28(4):443-454, 2014. [doi]

@article{HsiaoS14,
  title = {Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics},
  author = {Ya Wen Hsiao and Pär Söderhjelm},
  year = {2014},
  doi = {10.1007/s10822-014-9724-4},
  url = {http://dx.doi.org/10.1007/s10822-014-9724-4},
  researchr = {https://researchr.org/publication/HsiaoS14},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {28},
  number = {4},
  pages = {443-454},
}