Biomacromolecular structure quality – improvement or stagnation?

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Authors	HORSKÝ Vladimír BENDOVÁ Veronika SVOBODOVÁ VAŘEKOVÁ Radka KOČA Jaroslav
Year of publication	2017
Type	Appeared in Conference without Proceedings
MU Faculty or unit	Faculty of Science
Citation
Description	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.
Related projects:	Statistické a deterministické modelování