HORSKÝ, Vladimír, Veronika BENDOVÁ, Radka SVOBODOVÁ VAŘEKOVÁ and Jaroslav KOČA. Trends in biomacromolecular structure quality. In 2nd Annual Users Meeting of iNEXT. 2017.
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Basic information
Original name Trends in biomacromolecular structure quality
Authors HORSKÝ, Vladimír, Veronika BENDOVÁ, Radka SVOBODOVÁ VAŘEKOVÁ and Jaroslav KOČA.
Edition 2nd Annual Users Meeting of iNEXT, 2017.
Other information
Original language English
Type of outcome Presentations at conferences
Field of Study 10608 Biochemistry and molecular biology
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
Organization unit Faculty of Science
Keywords in English ValTrendsDB; ValidatorDB; biomacromolecule structure quality; ligand quality; X-ray crystallography; Protein Data Bank; Validation Report; trends; interval analysis; Spearman coefficient
Tags International impact
Changed by Changed by: doc. RNDr. Radka Svobodová, Ph.D., učo 4056. Changed: 14/3/2018 11:08.
Abstract
We have performed wide analysis of trends in quality and size of biomacromolecules and their ligands. Information about structures and their quality have been obtained from the Protein Data Bank, while ligand quality data have been sourced from our database ValidatorDB. 70 factors have been taken into consideration. Some trends were expected to exist (e.g., newer structures have better quality), while other trends surprised us (e.g., ligand quality is stagnant at best, currently utilised structure validation methods do not validate ligands well). All explored trends are available in the ValTrendsDB database (ncbr.muni.cz/ValTrendsDB).
Links
MUNI/A/1194/2016, interní kód MUName: Statistické a deterministické modelování (Acronym: StaDeMo)
Investor: Masaryk University, Category A
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