swMATH ID: 23141
Software Authors: Liu T, Lin Y, Wen X, Jorrisen RN, Gilson MK
Description: BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. BindingDB (http://www.bindingdb.org) is a publicly accessible database currently containing approximately 20,000 experimentally determined binding affinities of protein-ligand complexes, for 110 protein targets including isoforms and mutational variants, and approximately 11,000 small molecule ligands. The data are extracted from the scientific literature, data collection focusing on proteins that are drug-targets or candidate drug-targets and for which structural data are present in the Protein Data Bank. The BindingDB website supports a range of query types, including searches by chemical structure, substructure and similarity; protein sequence; ligand and protein names; affinity ranges and molecular weight. Data sets generated by BindingDB queries can be downloaded in the form of annotated SDfiles for further analysis, or used as the basis for virtual screening of a compound database uploaded by the user. The data in BindingDB are linked both to structural data in the PDB via PDB IDs and chemical and sequence searches, and to the literature in PubMed via PubMed IDs.
Homepage: https://www.bindingdb.org/bind/index.jsp
Related Software: ChEMBL; KEGG; ImageNet; TorchIO; TensorLy; ADA; GripNet; DeepAffinity; U-Net; Kornia; DeepDTA; MNIST; CIFAR; PyTorch Geometric; PyTorch Lightning; Torchvision; MLlib; Scikit; MMF; Cornac
Cited in: 4 Publications

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1 Publication describing the Software Year
Bindingdb: a web-accessible database of experimentally determined protein-ligand binding affinities.
Liu, Tiqing; Lin, Yuhmei; Wen, Xin; Jorissen, Robert N.; Gilson, Michael K.

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