Leveraging non-structural data to predict structures of protein-ligand complexes
J. M. Paggi, J. A. Belk, S. A. Hollingsworth, N. Villanueva, A. S. Powers, M. J. Clark, A. G. Chemparathy, J. E. Tynan, T. K. Lau, R. K. Sunahara, R. O. Dror
This paper presents a statistical framework combining physics-based and ligand-based methods to predict protein-ligand complex structures, improving pose prediction accuracy for drug targets.
bioRxiv · Jun 1, 2020 · PreprintBiophysics