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Showing result 1 - 5 of 31 swedish dissertations matching the above criteria.

  2. 1. Molecular Recognition Mechanisms: Thermodynamics and Polarization Spectroscopy of DNA--Intercalator Complexes

    Author : Hans-Christian Becker; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; groove-binding; DNA; intercalation; linear dichroism; polarization spectroscopy; thermodynamics; enthalpy--entropy compensation;

    Abstract : Mechanisms for molecular recognition in DNA--intercalator complexes have been investigated by optical spectroscopy. The effect of electrical charge on binding geometry and binding thermodynamics was studied using 2,7-diazapyrene (DAP) and its N-methylated cations DAP+ and DAP2+ as model ligands. READ MORE

  4. 2. Thermodynamics of Peptide Nucleic Acid Interactions with DNA

    Author : Tommi Ratilainen; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; thermodynamics; enthalpy-entropy compensation; ionic strength; nucleic acids; fluorescence energy transfer; PNA; calorimetry; sequence-specific binding;

    Abstract : Peptide Nucleic Acid (PNA) is a DNA mimic with the natural nucleobases attached to a charge-neutral pseudopeptide backbone. It has remarkably strong and sequence-specific binding affinity to natural nucleic acids (DNA and RNA), mainly attributed to the lack of charge in the PNA backbone. READ MORE

  5. 3. Structural and thermodynamical basis for molecular recognition between engineered binding proteins

    Author : Jakob Dogan; Per-Åke Nygren; John E. Ladbury; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; protein structure; induced fit; binding thermodynamics; NMR spectroscopy; protein engineering; protein-protein interactions; protein stability; calorimetry; Structural biochemistry; Strukturbiokemi;

    Abstract : The structural determination of interacting proteins, both as individual proteins and in their complex, complemented by thermodynamical studies are vital in order to gain in-depth insights of the phenomena leading to the highly selective protein-protein interactions characteristic of numerous life processes. This thesis describes an investigation of the structural and thermodynamical basis for molecular recognition in two different protein-protein complexes, formed between so-called affibody proteins and their respective targets. READ MORE

  6. 4. Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics

    Author : Tanveer Hussain; Rajeev Ahuja; Caetano R. Miranda; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Hydrogen storage; Chemisorption; Physisorption; Functionalization; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : The exponential increase in the demands of world’s energy and the devastating effects of current fossil fuels based sources has forced us to reduce our dependence on the current sources as well as finding cleaner, cheaper and renewable alternates. Being abundant, efficient and renewable, hydrogen can be opted as the best possible replacement of the diminishing and harmful fossil fuels. READ MORE

  7. 5. Theoretical studies of protein-ligand binding

    Author : Majda Misini Ignjatovic; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP;

    Abstract : Understanding how drugs work is of great importance, since it can facilitate drug discovery, both time- and costwise. At the same time, it is important to have methods that can help predict how well does a potential drug molecule bind to its target. Computational methods can in many ways contribute to drug design process. READ MORE