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Visar resultat 1 - 5 av 31 avhandlingar som matchar ovanstående sökkriterier.
1. Modulation of Molecular Properties : Host–Guest Interactions for Structural Analysis and Chemical Reactions
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. The solution conformations of macrocycles. Applications in the exploration of weak interactions and in drug development
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. Shape Matters : Characterization of Weak Interactions and Macrocycles by Conformational Analysis
Sammanfattning : When studying conformational ensembles, it is most challenging to identify and characterize rapidly interconverting individual conformers. A precise description of the structural dynamics, however, rewards viable knowledge on conformation stabilizing forces as well as on the impact of external influences on the conformer composition. LÄS MER
4. NMR spectroscopy in structural and conformational analysis of bacterial polysaccharides
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
5. Modeling and simulation of intrinsically disordered proteins
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
