Dataset Groups Activity Stream PDBBind A dataset of 3D structures of about 10k complexes, i.e., structures of ligands docked in binding pockets of proteins. BibTex: @dataset{Z_Liu_and_Y_Li_and_L_Han_and_J_Li_and_J_Liu_and_Z_Zhao_and_W_Nie_and_Y_Liu_and_R_Wang_2024, abstract = {A dataset of 3D structures of about 10k complexes, i.e., structures of ligands docked in binding pockets of proteins.}, author = {Z Liu and Y Li and L Han and J Li and J Liu and Z Zhao and W Nie and Y Liu and R Wang}, doi = {10.57702/k1e8e089}, institution = {No Organization}, keyword = {'PDBBind', 'Structure-based Virtual Screening', 'Virtual Screening'}, month = {dec}, publisher = {TIB}, title = {PDBBind}, url = {https://service.tib.eu/ldmservice/dataset/pdbbind}, year = {2024} }
