Search for dissertations about: "computer-assisted structure elucidation"

Found 3 swedish dissertations containing the words computer-assisted structure elucidation.

  2. 1. Computer-Assisted Carbohydrate Structural Studies and Drug Discovery

    Author : Magnus Lundborg; Göran Widmalm; Hans-Christian Siebert; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; molecular docking; molecular dynamics simulation; fragment-based virtual screening; NMR spectroscopy; computer-aided drug design; computer-aided structure elucidation; glycosyltransferases; Escherichia coli; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Abstract : Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. READ MORE

  4. 2. Structure Elucidations of Bacterial Polysaccharides using NMR Spectroscopy and Bioinformatics

    Author : Jonas Ståhle; Göran Widmalm; Evgeny Vinogradov; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; Bioinformatics; NMR Spectroscopy; Lipopolysaccharide; Glycosyltransferase; Computer-Assisted Structure Elucidation; O-antigen; Biosynthesis; Organic Chemistry; organisk kemi;

    Abstract : Carbohydrates are ubiquitous components in nature involved in a range of tasks. They cover every cell and contribute both structural stability as well as identity. Lipopolysaccharides are the outermost exposed part of the bacterial cell wall and the primary target for host-pathogen recognition. READ MORE

  5. 3. Synthesis and analysis of carbohydrates related to bacterial polysaccharides

    Author : Hani Mobarak; Göran Widmalm; Ulf Nilsson; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; carbohydrates; synthesis; conformation; NMR; O-antigen; computer-assisted structure elucidation; Organic Chemistry; organisk kemi;

    Abstract : The outer surface of bacteria is composed of around 75% carbohydrates, which are vital for the bacteria to survive and communicate with the host biological system. The thesis discusses different properties of carbohydrates that are essential for understanding the bacterial behavior in biological systems. READ MORE