TY  - RPRT
TI  - Accelerating ligand discovery by combining Bayesian optimization with MMGBSA-based binding affinity calculations
AU  - Andersen, L.
AU  - Rausch-Dupont, M.
AU  - Martinez Leon, A.
AU  - Volkamer, A.
AU  - Hub, J.
AU  - Klakow, D.
PY  - 2025
DO  - 10.1101/2025.06.22.660936
UR  - https://www.biorxiv.org/content/10.1101/2025.06.22.660936v1
ID  - 10.1101/2025.06.22.660936
ER  -