Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases

Candide Champion, René Gall, Benjamin Ries, Salomé Rieder, Emília P. Barros, Sereina Riniker. Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases. Journal of Chemical Information and Computer Sciences, 63(22):7133-7147, November 2023. [doi]

@article{ChampionGRRBR23,
  title = {Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases},
  author = {Candide Champion and René Gall and Benjamin Ries and Salomé Rieder and Emília P. Barros and Sereina Riniker},
  year = {2023},
  month = {November},
  doi = {10.1021/acs.jcim.3c01469},
  url = {https://doi.org/10.1021/acs.jcim.3c01469},
  researchr = {https://researchr.org/publication/ChampionGRRBR23},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {63},
  number = {22},
  pages = {7133-7147},
}