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Mario Schubert

dblp:233/4954 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 2019
0000-0003-0278-4091ORCID · reported

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology
glycomics
0.412019
Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics · Bioinform. 2019
Bioinformatics and computational biology › structural biology
NMR spectroscopy
0.112019
Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics · Bioinform. 2019
Bioinformatics and computational biology
structural bioinformatics
0.112019
Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics · Bioinform. 2019

Methods — techniques the papers use, named apart from their topics

database search · 0.4chemical shift matching · 0.4
YearPublicationVenuePosition
2019 Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics
abstract
Motivation: A better understanding of oligosaccharides and their wide-ranging functions in almost every aspect of biology and medicine promises to uncover hidden layers of biology and will support the development of better therapies. Elucidating the chemical structure of an unknown oligosaccharide remains a challenge. Efficient tools are required for non-targeted glycomics. Chemical shifts are a rich source of information about the topology and configuration of biomolecules, whose potential is however not fully explored for oligosaccharides. We hypothesize that the chemical shifts of each monosaccharide are unique for each saccharide type with a certain linkage pattern, so that correlated data measured by NMR spectroscopy can be used to identify the chemical nature of a carbohydrate. Results: We present here an efficient search algorithm, GlycoNMRSearch, which matches either a subset or the entire set of chemical shifts of an unidentified monosaccharide spin system to all spin systems in an NMR database. The search output is much more precise than earlier search functions and highly similar matches suggest the chemical structure of the spin system within the oligosaccharide. Thus, searching for connected chemical shift correlations within all electronically available NMR data of oligosaccharides is a very efficient way of identifying the chemical structure of unknown oligosaccharides. With an improved database in the future, GlycoNMRSearch will be even more efficient deducing chemical structures of oligosaccharides and there is a high chance that it becomes an indispensable technique for glycomics. Availability and implementation: The search algorithm presented here, together with a graphical user interface, is available at http://glyconmrsearch.nmrhub.eu. Supplementary information: Supplementary data are available at Bioinformatics online.
Piotr Klukowski, Mario Schubert
Bioinform.2