GRASS: semi-automated NMR-based structure elucidation of saccharides

RR Kapaev, PV Toukach - Bioinformatics, 2018 - academic.oup.com
Motivation Carbohydrates play crucial roles in various biochemical processes and are useful
for developing drugs and vaccines. However, in case of carbohydrates, the primary structure …

Carbohydrate structure database merged from bacterial, archaeal, plant and fungal parts

PV Toukach, KS Egorova - Nucleic acids research, 2016 - academic.oup.com
Abstract The Carbohydrate Structure Databases (CSDBs, http://csdb. glycoscience. ru) store
structural, bibliographic, taxonomic, NMR spectroscopic, and other data on natural …

NMR chemical shift prediction of glycans: application of the computer program CASPER in structural analysis

M Lundborg, G Widmalm - Glycoinformatics, 2015 - Springer
Carbohydrate molecules have highly complex structures and the constituent
monosaccharides and substituents are linked to each other in a large number of ways. NMR …

Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations

FV Toukach, VP Ananikov - Chemical Society Reviews, 2013 - pubs.rsc.org
All living systems are comprised of four fundamental classes of macromolecules–nucleic
acids, proteins, lipids, and carbohydrates (glycans). Glycans play a unique role of joining …

A perspective on the primary and three-dimensional structures of carbohydrates

G Widmalm - Carbohydrate research, 2013 - Elsevier
Carbohydrates, in more biologically oriented areas referred to as glycans, constitute one of
the four groups of biomolecules. The glycans, often present as glycoproteins or glycolipids …

Improved Carbohydrate Structure Generalization Scheme for 1H and 13C NMR Simulations

RR Kapaev, PV Toukach - Analytical chemistry, 2015 - ACS Publications
The improved Carbohydrate Structure Generalization Scheme has been developed for the
simulation of 13C and 1H NMR spectra of oligo-and polysaccharides and their derivatives …

Sequence determination of oligosaccharides and regular polysaccharides using NMR spectroscopy and a novel Web-based version of the computer program …

PE Jansson, R Stenutz, G Widmalm - Carbohydrate research, 2006 - Elsevier
A WWW-interface to a program for structure elucidation of oligo-and polysaccharides using
NMR data, casper, is presented. The interface and the underlying program have been …

NMR of carbohydrates

D Łowicki, A Czarny, J Mlynarski - 2013 - books.rsc.org
The aim of this report is to collect the most important results in sugar studies by NMR
methods in the last two years. This review covers determination of new and previously …

Carbohydrate structure generalization scheme for database-driven simulation of experimental observables, such as NMR chemical shifts

RR Kapaev, KS Egorova… - Journal of Chemical …, 2014 - ACS Publications
Carbohydrates play an immense role in different aspects of life. NMR spectroscopy is the
most powerful tool for investigation of these compounds. Nowadays, progress in …

Carbohydrate structural determination by NMR spectroscopy: modern methods and limitations

JØ Duus, CH Gotfredsen, K Bock - Chemical reviews, 2000 - ACS Publications
Carbohydrates play key roles in biological recognition processes, 1, 2 in development of
diseases, 3 and in many important areas of food and technical industry. The function of …