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@proceedings{1376028,
author = {Svobodová Vařeková, Radka and Horský, Vladimír and Sehnal, David and Bendová, Veronika and Pravda, Lukáš and Koča, Jaroslav},
booktitle = {Biophysical Society 61st Annual Meeting, New Orleans, Louisiana},
doi = {http://dx.doi.org/10.1016/j.bpj.2016.11.1880},
keywords = {ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient},
language = {eng},
title = {Quo Vadis, Biomacromolecular Structure Quality},
url = {http://www.cell.com/biophysj/pdf/S0006-3495(16)32910-1.pdf},
year = {2017}
}
TY - CONF
ID - 1376028
AU - Svobodová Vařeková, Radka - Horský, Vladimír - Sehnal, David - Bendová, Veronika - Pravda, Lukáš - Koča, Jaroslav
PY - 2017
TI - Quo Vadis, 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
UR - http://www.cell.com/biophysj/pdf/S0006-3495(16)32910-1.pdf
L2 - http://www.cell.com/biophysj/pdf/S0006-3495(16)32910-1.pdf
N2 - Missing answers to key questions of biomacromolecular complex structure quality motivated us to focus on an analysis of the current state of data quality and validation trends. Among others, we paid a special attention to ligand validation criteria as they are the most sensitive and interesting part of validation outputs. Our research has been based on validation data from our validation database ValidatorDB (http://ncbr.muni.cz/ValidatorDB) and PDB validation reports. Furthermore, we have compiled all these validation information into the ValTrendsDB dataabse. While certain discovered trends are very positive (e.g., clashscore markedly decreases with the year of structure publication), others are alarming (e.g., ligand quality stagnates with the year of structure publication).
ER -
SVOBODOVÁ VAŘEKOVÁ, Radka, Vladimír HORSKÝ, David SEHNAL, Veronika BENDOVÁ, Lukáš PRAVDA a Jaroslav KOČA. Quo Vadis, Biomacromolecular Structure Quality. In \textit{Biophysical Society 61st Annual Meeting, New Orleans, Louisiana}. 2017. ISSN~1542-0086. Dostupné z: https://dx.doi.org/10.1016/j.bpj.2016.11.1880.
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