Leveraging nonstructural data to predict structures and affinities of protein–ligand complexes
Joseph M. Paggi, J. Belk, S. Hollingsworth, Nicolas Villanueva, A. Powers, M. Clark, Augustine Chemparathy, Jonathan E Tynan, Thomas Lau, R. Sunahara, R. Dror
Proceedings of the National Academy of Sciences of the United States of America