TY  - RPRT
TI  - QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling
AU  - Poeverlein, M. C.
AU  - Hulm, A.
AU  - Dietschreit, J. C. B.
AU  - Kussmann, J.
AU  - Ochsenfeld, C.
AU  - Kaila, V. R. I.
PY  - 2024
DO  - 10.1101/2024.04.23.589781
UR  - https://www.biorxiv.org/content/10.1101/2024.04.23.589781v1
ID  - 10.1101/2024.04.23.589781
ER  -