Assessing interaction recovery of predicted protein-ligand poses

We provide the following data: PDB files containing protein structures from the PoseBusters dataset prepared with OpenEye's SPRUCE protein preparation software SDF files containing the corresponding PoseBusters ligand in its crystal pose This data is provided for the 256 PoseBuster targets used in our paper "Assessing interaction recovery of predicted protein-ligand poses" [1] with associated code at https://github.com/Exscientia/plif_validity. References [1] Errington D, Schneider C, Bouysset C, Dreyer FA, Assessing interaction recovery of predicted protein-ligand poses, arXiv; 2024. Available from: https://arxiv.org/abs/2409.20227