Search for dissertations about: "conformational analysis"

Showing result 16 - 20 of 145 swedish dissertations containing the words conformational analysis.

  2. 16. Computational Studies of Macrocycles and Molecular Modeling of Hepatitis C Virus NS3 Protease Inhibitors

    Author : Hiba Alogheli; Anders Karlén; Anja Sandström; Peter Brandt; Leif Eriksson; Uppsala universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Drug discovery; HCV NS3 protease; macrocycles; conformational analysis; docking.; Medicinal Chemistry; Läkemedelskemi;

    Abstract : Computational tools are utilized in the drug discovery process to discover, design, and optimize new therapeutics. One important approach is structure-based drug design which relies on knowledge about the 3D structure of the biological target. READ MORE

  4. 17. Tales from the Sweet Side of Life : Structure and dynamics of carbohydrate-based systems

    Author : Alessandro Ruda; Göran Widmalm; Jesús Jiménez Barbero; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; carbohydrates; nuclear magnetic resonance; molecular dynamics; glycans; conformational analysis; structure elucidation; protein-glycan interactions; Organic Chemistry; organisk kemi;

    Abstract : The field of glycomics has experienced significant developments in the last few decades, revealing a profound and elaborate language behind the intrinsic complexity of the glycans structures. This ‘sugar code’ is at the basis of intercellular interaction and recognition. For this language to be understood, its chemical basis must be unveiled. READ MORE

  5. 18. NMR spectroscopy in structural and conformational analysis of bacterial polysaccharides

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

    Abstract : 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. READ MORE

  6. 19. Probing the Effects of Conformation on the Photophysics of Conjugated Porphyrin Oligomers

    Author : Melina Gilbert Gatty; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; electron transfer; conformational analysis; conjugated porphyrin oligomers;

    Abstract : Controlling the conformational heterogeneity of molecular systems is fundamental to envisage future applications of these systems, such as in solar cells or molecular devices to name a few. The work presented in this Thesis investigates the effects of conformational flexibility on the photophysical properties of a series of conjugated porphyrin oligomers Pn (n = 1-4, 6, 8). READ MORE

  7. 20. Modeling and simulation of intrinsically disordered proteins

    Author : Joao Henriques; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Intrinsically disordered proteins; Coarse-grained models; Atomistic models; Metropolis Monte Carlo simulations; Molecular dynamics simulations; Sampling; Conformational analysis; Charge regulation; Surface adsorption;

    Abstract : This work is primarily about the development, validation and application of computer simulation models for intrinsically disordered proteins, both in solution and in the presence of uniformly charged, ideal surfaces. The models in question are either coarse-grained or atomistic in nature, and their applications are dependent on the specific purpose of each study. READ MORE