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@proceedings{1379032,
author = {Horský, Vladimír and Bendová, Veronika and Svobodová Vařeková, Radka and Koča, Jaroslav},
booktitle = {CEITEC PhD Retreat II},
keywords = {ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient},
language = {eng},
isbn = {978-80-210-8551-0},
title = {Biomacromolecular structure quality – improvement or stagnation?},
url = {http://www.ceitec.eu/ceitec-phd-retreat-ii-book-of-abstracts/f34779},
year = {2017}
}
TY - CONF
ID - 1379032
AU - Horský, Vladimír - Bendová, Veronika - Svobodová Vařeková, Radka - Koča, Jaroslav
PY - 2017
TI - Biomacromolecular structure quality – improvement or stagnation?
SN - 9788021085510
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 - http://www.ceitec.eu/ceitec-phd-retreat-ii-book-of-abstracts/f34779
L2 - http://www.ceitec.eu/ceitec-phd-retreat-ii-book-of-abstracts/f34779
N2 - We have performed wide scale analysis of trends in quality and size of biomacromolecules and their ligands. 70 diverse factors have been considered. Information about structures and their quality have been obtained from the Protein Data Bank, while the state of ligand quality has been sourced by our database ValidatorDB. Existence of some discovered trends was expected (e.g., newer structures have better quality). Other trends surprised us (e.g., ligand quality is stagnant at best, currently utilised structure validation methods do not validate ligands well). Discovered trends are openly available in the ValTrendsDB database.
ER -
HORSKÝ, Vladimír, Veronika BENDOVÁ, Radka SVOBODOVÁ VAŘEKOVÁ a Jaroslav KOČA. Biomacromolecular structure quality – improvement or stagnation? In \textit{CEITEC PhD Retreat II}. 2017. ISBN~978-80-210-8551-0.
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