Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing

Panagiotis I. Koukos, Manon Réau, Alexandre M. J. J. Bonvin. Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing. Journal of Chemical Information and Computer Sciences, 61(9):4807-4818, 2021. [doi]

@article{KoukosRB21,
  title = {Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing},
  author = {Panagiotis I. Koukos and Manon Réau and Alexandre M. J. J. Bonvin},
  year = {2021},
  doi = {10.1021/acs.jcim.1c00796},
  url = {https://doi.org/10.1021/acs.jcim.1c00796},
  researchr = {https://researchr.org/publication/KoukosRB21},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {61},
  number = {9},
  pages = {4807-4818},
}