Sökning: "Göran Widmalm"

Visar resultat 6 - 10 av 31 avhandlingar innehållade orden Göran Widmalm.

  1. 6. Deciphering Carbohydrate Structure : From NMR Chemical Shifts to Conformational Analysis

    Författare :Kevin M. Dorst; Göran Widmalm; Martina Delbianco; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR chemical shift prediction; Structural elucidation; Conformational studies; NMR spectroscopy; MD simulations; Organic Chemistry; organisk kemi;

    Sammanfattning : Carbohydrates are ubiquitous in nature and exhibit a multitude of roles. Besides nucleic and amino acids, they can be regarded as the third alphabet of life. They are used as energy source to fuel the cells, as structural building blocks and play a key role in cellular recognition processes. LÄS MER

  3. 7. Computational Analysis of Carbohydrates : Dynamical Properties and Interactions

    Författare :Robert Eklund; Göran Widmalm; Sören B. Engelsen; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrate; DFT; ab initio; docking calculations; Molecular dynamics; Langevin Dynaimcs; structure analysis; carbohydrate-protein interaction; Chemical shift calculations; Spin spin coupling constants.; Organic chemistry; Organisk kemi;

    Sammanfattning : In this thesis a computational complement to experimental observables will be presented. Computational tools such as molecular dynamics and quantum chemical tools will be used to aid in the interpretation of experimentally (NMR) obtained structural data. LÄS MER

  4. 8. Carbohydrate dynamics and interactions studied by NMR spectroscopy

    Författare :Olof Engström; Göran Widmalm; Niklas Hedin; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : The combination of NMR spectroscopy and molecular dynamics (MD) simulations are powerful tools in the studying of bioorganic molecules in solution. In this thesis two such studies are presented with focus on the NMR aspect. LÄS MER

  5. 9. Exploring the Molecular Behavior of Carbohydrates by NMR Spectroscopy : Shapes, motions and interactions

    Författare :Olof Engström; Göran Widmalm; Anthony S. Serianni; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR spectroscopy; NMR relaxation; DNMR; CORCEMA-ST; carbohydrates; caffeine; O-antigen; glycofullerenes; organisk kemi; Organic Chemistry;

    Sammanfattning : Carbohydrates are essential biomolecules that decorate cell membranes and proteins in organisms. They are important both as structural elements and as identification markers. Many biological and pathogenic processes rely on the identification of carbohydrates by proteins, thereby making them attractive as molecular blueprints for drugs. LÄS MER

  7. 10. NMR spectroscopy in structural and conformational analysis of bacterial polysaccharides

    Författare :Carolina Fontana; Göran Widmalm; Sven Müller-Loennies; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Nuclear Magnetic Resonance; carbohydrates; O-antigen polysaccharide; organisk kemi; Organic Chemistry;

    Sammanfattning : Carbohydrates constitute one of the three major classes of biomolecules found in all living cells and, unlike nucleic acids and proteins, their polymeric structures are not based on a template. The structural diversity of these molecules confers them an enormous capacity to encode information in biological systems, acting as efficient mediators in the interaction of the cell with the environment. LÄS MER