Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge

Dylan Serillon, Carles Bo, Xavier Barril. Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge. Journal of Computer-Aided Molecular Design, 35(2):209-222, 2021. [doi]

@article{SerillonBB21,
  title = {Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge},
  author = {Dylan Serillon and Carles Bo and Xavier Barril},
  year = {2021},
  doi = {10.1007/s10822-020-00370-6},
  url = {https://doi.org/10.1007/s10822-020-00370-6},
  researchr = {https://researchr.org/publication/SerillonBB21},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {35},
  number = {2},
  pages = {209-222},
}