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@proceedings{1385957,
author = {Horský, Vladimír and Bendová, Veronika and Svobodová Vařeková, Radka and Velankar, Sameer and Koča, Jaroslav},
booktitle = {25th Conference on Intelligent Systems for Molecular Biology (ISMB) / 16th Conference on European Conference on Computational Biology (ECCB) 2017},
keywords = {ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient},
language = {eng},
title = {Do trends in biomacromolecular structure quality inspire optimism?},
url = {https://www.iscb.org/cms_addon/conferences/ismbeccb2017/posterlist.php?cat=A},
year = {2017}
}
TY - CONF
ID - 1385957
AU - Horský, Vladimír - Bendová, Veronika - Svobodová Vařeková, Radka - Velankar, Sameer - Koča, Jaroslav
PY - 2017
TI - Do trends in biomacromolecular structure quality inspire optimism?
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
UR - https://www.iscb.org/cms_addon/conferences/ismbeccb2017/posterlist.php?cat=A
L2 - https://www.iscb.org/cms_addon/conferences/ismbeccb2017/posterlist.php?cat=A
N2 - A wide scale analysis of trends in size and quality of biomacromolecules and their ligands has been performed. 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 discovered 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, Sameer VELANKAR and Jaroslav KOČA. Do trends in biomacromolecular structure quality inspire optimism? In \textit{25th Conference on Intelligent Systems for Molecular Biology (ISMB) / 16th Conference on European Conference on Computational Biology (ECCB) 2017}. 2017.
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