Dataset OverviewThis dataset contains protein-ligand binding affinity and structure data of PocketAffDB.Go to https://doi.org/10.6084/m9.figshare.27966819 for the training dataset of LigUnity.Structur
Two macromolecular X-ray diffraction datasets were collected that correspond to co-crystal and soaking experiments with the same ligand and protein. X-ray diffraction images were collected at the Aust
Additional file 3. Folder (CS_2) containing both the input files and the results (i.e., the output files from the current toolkit) of the SFS-LDA models for Case study-2.
