BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction

Jaemin Sim, Juyong Lee. BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction. Journal of Chemical Information and Computer Sciences, 66(7):3480-3495, 2026. [doi]

@article{SimL26,
  title = {BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction},
  author = {Jaemin Sim and Juyong Lee},
  year = {2026},
  doi = {10.1021/acs.jcim.5c02591},
  url = {https://doi.org/10.1021/acs.jcim.5c02591},
  researchr = {https://researchr.org/publication/SimL26},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {66},
  number = {7},
  pages = {3480-3495},
}