TY  - RPRT
TI  - Simulated tempering-enhanced umbrella sampling improves convergence of free energy calculations of drug membrane permeation
AU  - Sousa, C. F.
AU  - Becker, R.
AU  - Lehr, C.-m.
AU  - Kalinina, O. V.
AU  - Hub, J. S.
PY  - 2022
DO  - 10.1101/2022.11.13.516136
UR  - https://www.biorxiv.org/content/10.1101/2022.11.13.516136v1
ID  - 10.1101/2022.11.13.516136
ER  -