Detailed Information on Publication Record
2017
Connection of saccharide database UnicarbKb with common databases of molecular structures
SUCHÁNKOVÁ, Pavla and Radka SVOBODOVÁ VAŘEKOVÁBasic information
Original name
Connection of saccharide database UnicarbKb with common databases of molecular structures
Authors
SUCHÁNKOVÁ, Pavla (203 Czech Republic, guarantor, belonging to the institution) and Radka SVOBODOVÁ VAŘEKOVÁ (203 Czech Republic, belonging to the institution)
Edition
XVIII. setkání biochemiků a molekulárních biologů, 2017, 2017
Other information
Language
English
Type of outcome
Konferenční abstrakt
Field of Study
10201 Computer sciences, information science, bioinformatics
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
RIV identification code
RIV/00216224:14740/17:00108802
Organization unit
Central European Institute of Technology
ISBN
978-80-210-8765-1
Keywords in English
glycan; GlycoCT; InChI; InChIKey; PDB; PubChem; UnicarbKB
Tags
Změněno: 26/3/2020 16:46, Mgr. Pavla Foltynová, Ph.D.
Abstract
V originále
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.
Links
| LQ1601, research and development project |
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