Do trends in biomacromolecular structure quality inspire optimism?
|Fakulta / Pracoviště MU|
|Popis||A wide scale analysis of trends in size and quality of biomacromolecules and their ligands has been performed. 88 factors that quantified quality and metadata properties of biomacromolecular complexes have been considered. Source data for the analysis came from the Protein Data Bank database. The state of quality of ligands was sourced from the ValidatorDB database that was developed by our team. Some discovered trends were expected to exist (e.g., newer structures have better quality). Other trends came as a surprise to us (e.g., ligand quality is stagnant at best, currently utilised structure validation methods do not validate ligands well). All trends that have been discovered in the analysis are openly available in the ValTrendsDB database.|