Sökning: "solution conformational analysis"

Visar resultat 1 - 5 av 24 avhandlingar innehållade orden solution conformational analysis.

  1. 1. Modulation of Molecular Properties : Host–Guest Interactions for Structural Analysis and Chemical Reactions

    Författare :Sara Norrehed; Adolf Gogoll; Jerker Mårtensson; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; host-guest systems; conformational analysis; NMR spectroscopy; bispidines; porphyrins; Kemi med inriktning mot organisk kemi; Chemistry with specialization in Organic Chemistry;

    Sammanfattning : This thesis concerns the construction, use and modulation of various host–guest systems, from small bispidines for binding of inorganic ions to bisporphyrin clips for supramolecular systems.Small flexible molecules undergo fast conformational movements when in solution. LÄS MER

  2. 2. The solution conformations of macrocycles. Applications in the exploration of weak interactions and in drug development

    Författare :Emma Danelius; Göteborgs universitet; Göteborgs universitet; Gothenburg University; []
    Nyckelord :Macrocycles; cyclic peptides; NMR; solution conformational analysis; NAMFIS; β-hairpin; weak interactions; halogen bonding; protein-protein interaction; bioactive conformation; macrolides; cell permeable conformation.;

    Sammanfattning : Understanding the solution conformation and dynamics of molecules with biological relevance, as well as the impact of their conformation stabilizing weak interactions, is for example important for drug design. Macrocycles have attractive pharmaceutical properties, and are of special interest as drug leads for targets with large, flat and featureless binding sites like protein-protein interfaces. LÄS MER

  3. 3. NMR spectroscopy in structural and conformational analysis of bacterial polysaccharides

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

    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

  4. 4. Modeling and simulation of intrinsically disordered proteins

    Författare :Joao Henriques; Teoretisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; 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;

    Sammanfattning : 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. LÄS MER

  5. 5. Metallocene based peptidomimetics and chiral catalysts

    Författare :Suzana Maricic; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Organic chemistry; Organisk kemi; asymmetric catalysis.; metallocene based amino alcohols; one-pot macrocyclisation; cyclic peptides; Organometallic substance P and Leu 5 -enkephalin; conformational analysis;

    Sammanfattning : Several optically active organometallic Phe-AAn-Phe peptidomimetics and macrocyclic Phe-(Phe)n peptides have been synthesized by either intra- or intermolecular peptide bond formation of the corresponding bis(amino acid) derivatives. The key bis(amino acid) derivatives were available from an improved multi-step synthetic route, utilising Horner-Wadswort-Emmons olefination of organometallic aldehydes with phosphonylglycine reagents, enantioselective hydrogenation of didehydro amino acids and classical solution and/or solid phase peptide synthesis methodology. LÄS MER