Literature DB >> 31790229

New Features of Carbohydrate Structure Database Notation (CSDB Linear), As Compared to Other Carbohydrate Notations.

Philip V Toukach1,2, Ksenia S Egorova1.   

Abstract

The CSDB Linear notation for carbohydrate sequences utilized in the Carbohydrate Structure Database (CSDB) has been improved to meet modern requirements in glycoinformatics. The new features include: the possibility to combine repeating and nonrepeating moieties in one structure; support of carbon-carbon bonds; and usage of SMILES encodings for unambiguous chemical description of glycan structures, including aglycons and atypical components. The new capabilities of CSDB Linear, together with the older ones, allow efficient detection of errors in CSDB and, at the same time, ensure the absence of informatic problems common for human-readable notations. The CSDB Linear implementation provides translation to other carbohydrate notations and multiple procedures for content error checking.

Entities:  

Mesh:

Substances:

Year:  2020        PMID: 31790229     DOI: 10.1021/acs.jcim.9b00744

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  6 in total

1.  Comparison of Methods for Bulk Automated Simulation of Glycosidic Bond Conformations.

Authors:  Victor Stroylov; Maria Panova; Philip Toukach
Journal:  Int J Mol Sci       Date:  2020-10-15       Impact factor: 5.923

Review 2.  Molecular representations in AI-driven drug discovery: a review and practical guide.

Authors:  Laurianne David; Amol Thakkar; Rocío Mercado; Ola Engkvist
Journal:  J Cheminform       Date:  2020-09-17       Impact factor: 5.514

3.  Dealing with the Ambiguity of Glycan Substructure Search.

Authors:  Vincenzo Daponte; Catherine Hayes; Julien Mariethoz; Frederique Lisacek
Journal:  Molecules       Date:  2021-12-23       Impact factor: 4.411

4.  Source files of the Carbohydrate Structure Database: the way to sophisticated analysis of natural glycans.

Authors:  Philip V Toukach; Ksenia S Egorova
Journal:  Sci Data       Date:  2022-03-30       Impact factor: 6.444

5.  Examining the diversity of structural motifs in fungal glycome.

Authors:  Philip V Toukach; Ksenia S Egorova
Journal:  Comput Struct Biotechnol J       Date:  2022-09-28       Impact factor: 6.155

6.  Probiotic Bacteria with High Alpha-Gal Content Protect Zebrafish against Mycobacteriosis.

Authors:  Iván Pacheco; Sandra Díaz-Sánchez; Marinela Contreras; Margarita Villar; Alejandro Cabezas-Cruz; Christian Gortázar; José de la Fuente
Journal:  Pharmaceuticals (Basel)       Date:  2021-06-30
  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.