TY  - RPRT
TI  - seekrflow: Towards end-to-end automated simulation pipeline with machine-learned force fields for accelerated drug-target kinetic and ther-modynamic predictions
AU  - Ojha, A. A.
AU  - Votapka, L. W.
AU  - Dutta, S.
AU  - Noland, A. F.
AU  - Hanson, S. M.
AU  - Amaro, R. E.
PY  - 2025
DO  - 10.1101/2025.08.13.669965
UR  - https://www.biorxiv.org/content/10.1101/2025.08.13.669965v1
ID  - 10.1101/2025.08.13.669965
ER  -