Chemical annotation of small and peptide-like molecules at the Protein Data Bank. - Jasmine Young; Zukang Feng; Dimitris Dimitropoulos; Raul Sala; John D. Westbrook; Marina Zhuravleva; Chenghua Shao; Martha Quesada; Ezra Peisach; Helen M. Berman (Database J. Biol. Databases Curation, 2013)

Small molecule annotation for the Protein Data Bank. - Sanchayita Sen; Jasmine Young; John M. Berrisford; Minyu Chen; Matthew J. Conroy; Shuchismita Dutta; Luigi Di Costanzo; Guanghua Gao; Sutapa Ghosh; Brian P. Hudson; Reiko Igarashi; Yumiko Kengaku; et al. (Database J. Biol. Databases Curation, 2014)

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank. - John D. Westbrook; Chenghua Shao; Zukang Feng; Marina Zhuravleva; Sameer Velankar; Jasmine Young (Bioinform., 2015)

The RCSB protein data bank: integrative view of protein, gene and 3D structural information. - Peter W. Rose; Andreas Prlic; Ali Altunkaya; Chunxiao Bi; Anthony R. Bradley; Cole H. Christie; Luigi Di Costanzo; Jose M. Duarte; Shuchismita Dutta; Zukang Feng; Rachel Kramer Green; David S. Goodsell; et al. (Nucleic Acids Res., 2017)

Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data. - Jasmine Young; John D. Westbrook; Zukang Feng; Ezra Peisach; Irina Persikova; Raul Sala; Sanchayita Sen; John M. Berrisford; Jawahar Swaminathan; Thomas J. Oldfield; Aleksandras Gutmanas; Reiko Igarashi; et al. (Database J. Biol. Databases Curation, 2018)

D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. - Zied Gaieb; Shuai Liu; Symon Gathiaka; Michael Chiu; Huanwang Yang; Chenghua Shao; Victoria A. Feher; W. Patrick Walters; Bernd Kuhn; Markus G. Rudolph; Stephen K. Burley; Michael K. Gilson; et al. (J. Comput. Aided Mol. Des., 2018)

D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings. - Zied Gaieb; Conor D. Parks; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Millard H. Lambert; Neysa Nevins; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; Stephen K. Burley; et al. (J. Comput. Aided Mol. Des., 2019)

RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy. - Stephen K. Burley; Helen M. Berman; Charmi Bhikadiya; Chunxiao Bi; Li Chen 022; Luigi Di Costanzo; Cole H. Christie; Kenneth Dalenberg; Jose M. Duarte; Shuchismita Dutta; Zukang Feng; Sutapa Ghosh; et al. (Nucleic Acids Res., 2019)

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. - Conor D. Parks; Zied Gaieb; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Johanna M. Jansen; Georgia B. McGaughey; Richard A. Lewis; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; et al. (J. Comput. Aided Mol. Des., 2020)

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. - Stephen K. Burley; Charmi Bhikadiya; Chunxiao Bi; Sebastian Bittrich; Li Chen 022; Gregg V. Crichlow; Cole H. Christie; Kenneth Dalenberg; Luigi Di Costanzo; Jose M. Duarte; Shuchismita Dutta; Zukang Feng; et al. (Nucleic Acids Res., 2021)

RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning. - Stephen K. Burley; Charmi Bhikadiya; Chunxiao Bi; Sebastian Bittrich; Henry Chao; Li Chen 022; Paul A. Craig; Gregg V. Crichlow; Kenneth Dalenberg; Jose M. Duarte; Shuchismita Dutta; Maryam Fayazi; et al. (Nucleic Acids Res., 2023)