Simplified quality assessment for small-molecule ligands in the Protein Data Bank
Chenghua Shao, John D. Westbrook, Changpeng Lu, Charmi Bhikadiya, Ezra Peisach, Jasmine Y. Young, Jose M. Duarte, Robert Lowe, Sijian Wang, Yana Rose, Zukang Feng, Stephen K. Burley
Topics & Concepts
Protein Data Bank (RCSB PDB)Protein Data BankRanking (information retrieval)Ligand (biochemistry)Quality (philosophy)Biological systemData miningComputer sciencePrincipal component analysisProtein structureChemistryCrystallographyData qualityMathematicsExperimental dataAlgorithmGoodness of fitQuality assessmentProtein ligandProtein crystallizationComputational biologyReference dataStatisticsTraining setMacromoleculeCrystal structureEnzyme Structure and FunctionProtein Structure and DynamicsBiotin and Related Studies