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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 a Jaroslav KOČA. Trends in biomacromolecular structure quality. In \textit{2nd Annual Users Meeting of iNEXT}. 2017.
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