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@proceedings{1395683,
author = {Horský, Vladimír and Bendová, Veronika and Svobodová Vařeková, Radka and Koča, Jaroslav},
booktitle = {ELIXIR CZ Annual Conference 2017},
keywords = {ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient},
language = {eng},
isbn = {978-80-86241-57-9},
title = {Exploring Trends in Quality of Biomacromolecular Structure Data},
year = {2017}
}
TY - CONF
ID - 1395683
AU - Horský, Vladimír - Bendová, Veronika - Svobodová Vařeková, Radka - Koča, Jaroslav
PY - 2017
TI - Exploring Trends in Quality of Biomacromolecular Structure Data
SN - 9788086241579
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. 88 factors that quantified quality and metadata properties of biomacromolecular complexes have been considered. Source data for the analysis came from the Protein Data Bank database. The state of quality of ligands was sourced from the ValidatorDB database that was developed by our team. Some trends were expected to exist (e.g., newer structures have better quality). Other trends came as a surprise to us (e.g., ligand quality is stagnant at best, currently utilised structure validation methods do not validate ligands well). All trends that have been discovered in the analysis are openly available in the ValTrendsDB database.
ER -
HORSKÝ, Vladimír, Veronika BENDOVÁ, Radka SVOBODOVÁ VAŘEKOVÁ a Jaroslav KOČA. Exploring Trends in Quality of Biomacromolecular Structure Data. In \textit{ELIXIR CZ Annual Conference 2017}. 2017. ISBN~978-80-86241-57-9.
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