Search Results - "Dorst, Kevin M."
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Conformational Preferences at the Glycosidic Linkage of Saccharides in Solution as Deduced from NMR Experiments and MD Simulations: Comparison to Crystal Structures
Published in Chemistry : a European journal (12-03-2024)“…Glycans are central to information content and regulation in biological systems. These carbohydrate molecules are active either as oligo‐ or polysaccharides,…”
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NMR chemical shift prediction and structural elucidation of linker-containing oligo- and polysaccharides using the computer program CASPER
Published in Carbohydrate research (01-11-2023)“…Carbohydrate structures containing alkyl groups as aglycones are useful for investigating enzyme activity and glycan-protein interactions. Moreover,…”
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Carbohydrate NMR chemical shift prediction by GeqShift employing E(3) equivariant graph neural networks
Published in RSC advances (16-08-2024)“…Carbohydrates, vital components of biological systems, are well-known for their structural diversity. Nuclear Magnetic Resonance (NMR) spectroscopy plays a…”
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Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ
Published in Journal of the American Chemical Society (31-08-2022)“…Dioxygenases catalyze stereoselective oxygen atom transfer in metabolic pathways of biological, industrial, and pharmaceutical importance, but their precise…”
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On the influence of solvent on the stereoselectivity of glycosylation reactions
Published in Carbohydrate research (01-01-2024)“…Methodology development in carbohydrate chemistry entails the stereoselective formation of C-O bonds as a key step in the synthesis of oligo- and…”
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