GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks [PDF]
arXiv, 2023 Molecular representation learning (MRL) is a powerful tool for bridging the gap between machine learning and chemical sciences, as it converts molecules into numerical representations while preserving their chemical features. These encoded representations serve as a foundation for various downstream biochemical studies, including property prediction ...
arxiv
Scientific Reports, 2019 The conformational itineraries taken by carbohydrate residues in the catalytic subsite of retaining glycoside hydrolases (GHs), harness the link between substrate conformation and reactivity.
Rajender Kumar +2 more
doaj +1 more source
Effects of Altitudinal Gradient on Physicochemical and Rheological Potential of Quinoa Cultivars
Frontiers in Sustainable Food Systems, 2022 The protein, carbohydrate, and fat characteristics of quinoa grains reflect in their techno-functional potential. This aspect has been little studied in quinoa, while some physicochemical and rheological characteristics have been generalized for all ...
Miguel Ángel Garcia-Parra +5 more
doaj +1 more source
Crystal structure of the GalNAc/Gal-specific agglutinin from the phytopathogenic ascomycete Sclerotinia sclerotiorum reveals novel adaptation of a beta-trefoil domain [PDF]
, 2010 International audienceA lectin from the phytopathogenic ascomycete Sclerotinia sclerotiorum that shares only weak sequence similarity with characterized fungal lectins has recently been identified. S.
Bourne, Yves +5 more
core +2 more sources
Nucleic Acids Res., 2018 Lectins, and related receptors such as adhesins and toxins, are glycan-binding proteins from all origins that decipher the glycocode, i.e. the structural information encoded in the conformation of complex carbohydrates present on the surface of all cells.
François Bonnardel +7 more
semanticscholar +1 more source
The Ensemble of Conformations of Antifreeze Glycoproteins (AFGP8): A Study Using Nuclear Magnetic Resonance Spectroscopy. [PDF]
, 2019 The primary sequence of antifreeze glycoproteins (AFGPs) is highly degenerate, consisting of multiple repeats of the same tripeptide, Ala-Ala-Thr*, in which Thr* is a glycosylated threonine with the disaccharide beta-d-galactosyl-(1,3)-alpha-N-acetyl-d ...
Her, Cheenou +2 more
core +1 more source
How effectively does the index of hydrogen deficiency in carbohydrates used in potassium nitrate propellant affect enthalpy change and its performance? [PDF]
arXiv, 2023 This work looks at the relationship between the index of hydrogen deficiency (IHD) and the enthalpy of combustion of "sugar propellant," as well as the performance of carbohydrates with similar IHD values. The study used eight different carbohydrate sources as fuels in the propellant, combined with potassium nitrate as an oxidizer in a 35:65 ratio. The
arxiv
A Kinetic Model for the Enzymatic Action of Cellulase [PDF]
, 2009 We develop a mechanochemical model for the dynamics of cellulase, a two-domain enzyme connected by a peptide linker, as it extracts and hydrolyzes a cellulose polymer from a crystalline substrate.
Makarov, Dmitrii E. +2 more
core +1 more source
Automated Glycan Assembly to Study Carbohydrate Materials [PDF]
, 2020 This thesis highlights the use of synthetic tailor-made oligo- and polysaccharides to study carbohydrate materials at different levels: chemical structure, conformation, aggregation tendency, and properties.
Yu, Yang
core +2 more sources
Molecules, 2023 Interaction of β-D-glucopyranuronic acid (GlcA), N-acetyl-β-D-glucosamine (GlcNAc), N-acetyl-β-D-galactosamine (GalNAc) and two natural decameric glycosaminoglycans, hyaluronic acid (HA) and Chondroitin (Ch) with carboxylated carbon nanotubes, were ...
Tomasz Panczyk +4 more
doaj +1 more source