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@proceedings{1409482, author = {Suchánková, Pavla and Svobodová Vařeková, Radka}, booktitle = {XVIII. setkání biochemiků a molekulárních biologů, 2017}, keywords = {glycan; GlycoCT; InChI; InChIKey; PDB; PubChem; UnicarbKB}, language = {eng}, isbn = {978-80-210-8765-1}, title = {Connection of saccharide database UnicarbKb with common databases of molecular structures}, year = {2017} }
TY - CONF ID - 1409482 AU - Suchánková, Pavla - Svobodová Vařeková, Radka PY - 2017 TI - Connection of saccharide database UnicarbKb with common databases of molecular structures SN - 9788021087651 KW - glycan KW - GlycoCT KW - InChI KW - InChIKey KW - PDB KW - PubChem KW - UnicarbKB N2 - Carbohydrates are important biomolecules, which play significant role in cell-cell recognition and other key biological processes. Thanks to high-performance structure determination methods, we have nowadays available a huge amount of biomolecular structures (including saccharides). These structures are archived in UnicarbKb [1] database, where they are stored in GlycoCT format [2] which was developed for describing of saccharide molecule. An important challenge of current glycobioinformatics is a connection of UnicarbKb with common databases of molecular structures (e.g., Pubchem [3]). We focused on this topic and developed a workflow for translation of GlycoCT format to SMILES and Inchi. Based on these standard formats, we established a linkage between Unicarb and Pubchem databases. We will present the workflow and also information describing a matching between these databases. ER -
SUCHÁNKOVÁ, Pavla a Radka SVOBODOVÁ VAŘEKOVÁ. Connection of saccharide database UnicarbKb with common databases of molecular structures. In \textit{XVIII. setkání biochemiků a molekulárních biologů, 2017}. 2017. ISBN~978-80-210-8765-1.
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