Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics

John R. Hamre III, Dmitri K. Klimov, Matthew McCoy, Mohsin Saleet Jafri. Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics. Comp. in Bio. and Med., 140:105060, 2022. [doi]

@article{HamreKMJ22,
  title = {Machine learning-based prediction of drug and ligand binding in BCL-2 variants through molecular dynamics},
  author = {John R. Hamre III and Dmitri K. Klimov and Matthew McCoy and Mohsin Saleet Jafri},
  year = {2022},
  doi = {10.1016/j.compbiomed.2021.105060},
  url = {https://doi.org/10.1016/j.compbiomed.2021.105060},
  researchr = {https://researchr.org/publication/HamreKMJ22},
  cites = {0},
  citedby = {0},
  journal = {Comp. in Bio. and Med.},
  volume = {140},
  pages = {105060},
}