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dr Agnieszka Brzyska
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total: 15
Catalog Publications
Year 2022
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The carbohydrate glycosylphosphatidylinositol anchor chain under mechanical stress
PublicationCarbohydrates have quite complicated micro heterogenic structure which may undergo different structural transitions. Due to their extreme flexibility it is very difficult to investigate such structural changes experimentally. In these studies we want to predict what structural and conformational changes are possible in the carbohydrate
Year 2020
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Driving proton transfer reactions in the 2-methylfuran ring with external forces
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Efficient sampling of high-energy states by machine learning force fields
Publication -
Simulation of the conformational flexibility of the mycodextran under external forces
Publication
Year 2019
Year 2018
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Force-induced structural changes in non-sulfated carrageenan based oligosaccharides – a theoretical study
Publication -
Theoretical studies of the pyranose ring under mechanical stress
Publication
Year 2015
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Solvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study
Publication
Year 2014
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Enforced conformational changes in the structural units of glycosaminoglycan (non-sulfated heparin-based oligosaccharides)
Publication -
Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers
Publication
Year 2012
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Theoretical studies of the dependence of nuclear quadrupole coupling constants on intermolecular forces
Publication
Year 2011
Year 2009
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Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles
Publication
Year 2008
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Molecular properties with dual basis set methods
Publication
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