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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

, , , , , , , , , , , , and . Journal of Computer-Aided Molecular Design, 32 (1): 1-20 (2018)

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D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings., , , , , , , , , and 4 other author(s). Journal of Computer-Aided Molecular Design, 33 (1): 1-18 (2019)Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data., , , , , , , , , and 41 other author(s). Database, (2018)Small molecule annotation for the Protein Data Bank., , , , , , , , , and 13 other author(s). Database, (2014)D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies., , , , , , , , , and 3 other author(s). Journal of Computer-Aided Molecular Design, 32 (1): 1-20 (2018)Chemical annotation of small and peptide-like molecules at the Protein Data Bank., , , , , , , , , and . Database, (2013)RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy., , , , , , , , , and 30 other author(s). Nucleic Acids Research, 47 (Database-Issue): D464-D474 (2019)The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank., , , , , and . Bioinformatics, 31 (8): 1274-1278 (2015)The RCSB protein data bank: integrative view of protein, gene and 3D structural information., , , , , , , , , and 19 other author(s). Nucleic Acids Research, 45 (Database-Issue): D271-D281 (2017)