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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 and Jaroslav KOČA. Quo Vadis, Biomacromolecular Structure Quality. In \textit{Biophysical Society 61st Annual Meeting, New Orleans, Louisiana}. 2017. ISSN~1542-0086. Available from: https://dx.doi.org/10.1016/j.bpj.2016.11.1880.
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