@misc{indiciaee6051b75c74c, title = {The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase}, author = {Wan, Shunzhou and Bhati, Agastya P. and Wright, David W. and Wade, Alexander D. and Tresadern, Gary and van Vlijmen, Herman and Coveney, Peter V.}, year = {2022}, doi = {10.1038/s41598-022-13319-6}, url = {https://www.osti.gov/biblio/1903921}, note = {Source identifier: 1903921} }