TY  - RPRT
TI  - The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase
AU  - Wan, Shunzhou
AU  - Bhati, Agastya P.
AU  - Wright, David W.
AU  - Wade, Alexander D.
AU  - Tresadern, Gary
AU  - van Vlijmen, Herman
AU  - Coveney, Peter V.
PY  - 2022
DO  - 10.1038/s41598-022-13319-6
UR  - https://www.osti.gov/biblio/1903921
ID  - 1903921
ER  -