Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

Simon Bray, Tim Dudgeon, Rachael Skyner, Rolf Backofen, Björn A. Grüning, Frank von Delft. Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease. J. Cheminformatics, 14(1):22, 2022. [doi]

@article{BrayDSBGD22,
  title = {Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease},
  author = {Simon Bray and Tim Dudgeon and Rachael Skyner and Rolf Backofen and Björn A. Grüning and Frank von Delft},
  year = {2022},
  doi = {10.1186/s13321-022-00588-6},
  url = {https://doi.org/10.1186/s13321-022-00588-6},
  researchr = {https://researchr.org/publication/BrayDSBGD22},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {14},
  number = {1},
  pages = {22},
}