@misc{indiciae5e78edef2bb9,
  title = {Accelerating ligand discovery by combining Bayesian optimization with MMGBSA-based binding affinity calculations},
  author = {Andersen, L. and Rausch-Dupont, M. and Martinez Leon, A. and Volkamer, A. and Hub, J. and Klakow, D.},
  year = {2025},
  doi = {10.1101/2025.06.22.660936},
  url = {https://www.biorxiv.org/content/10.1101/2025.06.22.660936v1},
  note = {Source identifier: 10.1101/2025.06.22.660936}
}