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@proceedings{2421117,
author = {Bučeková, Gabriela and Doshchenko, Viktoriia and Horský, Vladimír and Svobodová, Radka},
booktitle = {3D-BioInfo | ICSB 3D-SIG | ELIXIR Czech Republic Community Meeting in Structural Bioinformatics},
language = {eng},
title = {Conformational study of small carbon rings in ligands},
url = {https://www.xray.cz/3d-bio-2023/default.htm},
year = {2023}
}
TY - CONF
ID - 2421117
AU - Bučeková, Gabriela - Doshchenko, Viktoriia - Horský, Vladimír - Svobodová, Radka
PY - 2023
TI - Conformational study of small carbon rings in ligands
UR - https://www.xray.cz/3d-bio-2023/default.htm
N2 - Structural data of biomacromolecules is a vital resource across various scientific disciplines. The Protein Data Bank (PDB), housing over 190,000 experimentally determined three-dimensional structural information for macromolecules and their associated ligands. While rigorous validation precedes the deposition of each molecular structure, the increasing volume of determined structures necessitates heightened scrutiny of data quality. Numerous criteria for assessing the quality of biomacromolecule and ligand structures have been established. However, specific parameters, such as the validation of ligand ring conformations, remain conspicuously absent from validation reports. The analysis focused on crystallographic data as we can validate the model based on the electron density coverage. By enhancing our understanding of the relationship between structure and function in these fundamental molecular components, this work improves data quality in the PDB and its role as a critical resource in structural biology and related scientific disciplines.
ER -
BUČEKOVÁ, Gabriela, Viktoriia DOSHCHENKO, Vladimír HORSKÝ a Radka SVOBODOVÁ. Conformational study of small carbon rings in ligands. In \textit{3D-BioInfo $|$ ICSB 3D-SIG $|$ ELIXIR Czech Republic Community Meeting in Structural Bioinformatics}. 2023.
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