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Showing result 1 - 5 of 74 swedish dissertations matching the above criteria.

  2. 1. Conformations of Flexible Oligosaccharides : Molecular Simulations and NMR spectroscopy

    Author : Robert Pendrill; Göran Widmalm; Jens Duus; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; Oligosaccharide; Conformation; NMR spectroscopy; MD simulations; organisk kemi; Organic Chemistry;

    Abstract : The conformational preferences of several oligosaccharides are investigated herein using a combination of NMR spectroscopy and molecular dynamics (MD) simulations, focusing on the torsion angles associated with the glycosidic linkages.Strategies for obtaining usable J-HMBC spectra for carbons with an adjacent 13C label are described. READ MORE

  4. 2. NMR spectroscopy and MD simulations of carbohydrates

    Author : Elin Säwén; Göran Widmalm; Manuel Martin Pastor; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NMR specroscopy; MD simulations; carbohydrates; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Abstract : Knowledge about the structure, conformation and dynamics of carbohydrates is important in our understanding of the way carbohydrates function in biological systems, for example in intermolecular signaling and recognition. This thesis is a summary of five papers studying these properties in carbohydrate-containing molecules with NMR spectroscopy and molecular dynamics simulations. READ MORE

  5. 3. Development and applications of NMR relaxation methods to study protein and ligand dynamics

    Author : Sven Wernersson; Biofysikalisk kemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Nuclear magnetic resonance; NMR; NMR relaxation; Method development; Protein dynamics; BRD4; Galectin 3; Kärnmagnetisk resonansspektroskopi; proteindynamik; Metodutveckling; NMR; BRD4; Galektin 3;

    Abstract : This thesis involves the study of proteins. These molecules exist in many variants, and perform most of our bodily functions. This includes signaling (for example the presence of capsaicin, which makes food spicy), molecular transport (including oxygen), catalysis (including food digestion) and part of our body structure (such as muscles). READ MORE

  6. 4. Structure determination of ribosomal proteins and development of new methods in biomolecular NMR

    Author : Magnus Helgstrand; KTH; []
    Keywords : nuclear magnetic resonance; structure determination; ribosomal proteins; NMR simulations; NMR theory; NMR assignment software; semiautomatic assignment;

    Abstract : This thesis concerns different areas of biomolecular nuclearmagnetic resonance spectroscopy (NMR). In the first part of thethesis a new formalism for simulations of NMR pulse sequencesis introduced. The formalism is derived both from classicalmechanics and quantum mechanics and is presented forhomonuclear and heteronuclear spin systems. READ MORE

  7. 5. Deciphering Carbohydrate Structure : From NMR Chemical Shifts to Conformational Analysis

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

    Abstract : 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. READ MORE