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@proceedings{1381539, author = {Horský, Vladimír and Bendová, Veronika and Svobodová Vařeková, Radka and Koča, Jaroslav}, booktitle = {2nd Annual Users Meeting of iNEXT}, keywords = {ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient}, language = {eng}, title = {Trends in biomacromolecular structure quality}, year = {2017} }
TY - CONF ID - 1381539 AU - Horský, Vladimír - Bendová, Veronika - Svobodová Vařeková, Radka - Koča, Jaroslav PY - 2017 TI - Trends in biomacromolecular structure quality KW - ValTrendsDB KW - ValidatorDB KW - biomacromolecule structure quality KW - ligand quality KW - X-ray crystallography KW - Protein Data Bank KW - Validation Report KW - trends KW - interval analysis KW - Spearman coefficient N2 - We have performed wide analysis of trends in quality and size of biomacromolecules and their ligands. Information about structures and their quality have been obtained from the Protein Data Bank, while ligand quality data have been sourced from our database ValidatorDB. 70 factors have been taken into consideration. Some trends were expected to exist (e.g., newer structures have better quality), while other trends surprised us (e.g., ligand quality is stagnant at best, currently utilised structure validation methods do not validate ligands well). All explored trends are available in the ValTrendsDB database (ncbr.muni.cz/ValTrendsDB). ER -
HORSKÝ, Vladimír, Veronika BENDOVÁ, Radka SVOBODOVÁ VAŘEKOVÁ and Jaroslav KOČA. Trends in biomacromolecular structure quality. In \textit{2nd Annual Users Meeting of iNEXT}. 2017.
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