Search for dissertations about: "Protein-ligand"

Showing result 16 - 20 of 46 swedish dissertations containing the word Protein-ligand.

  2. 16. Assessment of Computational Methods for Ligand Binding

    Author : Paulius Mikulskis; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; binding affinities; MM GBSA; MM PBSA; LIE; FEP; TI; BAR; protein-ligand complexes; drug design;

    Abstract : Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. READ MORE

  4. 17. Molecular basis for galectin-ligand interactions : Design, synthesis and analysis of ligands

    Author : Kristoffer Peterson; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Galectin; Structure-based design; Thiodigalactoside; Huisgen 1; 3-dipolar cycloaddition; Protein-ligand binding interactions;

    Abstract : Galectins are a class of β-galactoside-binding proteins that bind glycoconjugates and have been implicated in cancer, regulation of immunity and inflammation. Design and synthesis have achieved highly potent and selective galectin ligands that can inhibit interactions with glycoproteins and have consequent cellular effects. READ MORE

  5. 18. On the estimation of ligand binding affinities

    Author : Samuel Genheden; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; binding affinities protein-ligand complexes; host-guest complexes; MM GBSA; MM PBSA; LIE; PDLD s-LRA; alchemical methods; sampling; solvation; drug design;

    Abstract : A method to accurately estimate the binding affinity of a small molecule to a receptor would be indispensable in numerous fields. For instance, most drugs exert their action by binding to a macromolecule target. Thus, a lot of time and resources could be saved in drug design by predicting affinities by computer programs. READ MORE

  6. 19. Functional analysis of ligand recognition by the glucocorticoid receptor

    Author : Ulrika Lind; Karolinska Institutet; Karolinska Institutet; []
    Keywords : glucocorticoid receptor; steroid-binding; site-directed mutagenesis; protein-ligand interaction; mechanism of glucocorticoid action;

    Abstract : The glucocorticoid receptor (GR) is a ligand-inducible transcription factor that belongs to the superfamily of nuclear hormone receptors. It contains three structural and functional domains. READ MORE

  7. 20. Structure and energetics of molecular recognition in galectin-3-ligand interactions

    Author : Rohit Kumar; Biokemi och Strukturbiologi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Protein-ligand interactions; molecular recognition; weak bonds; thermodynamics; enthalpy; entropy; galectin-3; carbohydrate recognition domain; x-ray crystallography; fluorescence polarization; isothermal titration calorimetry; neutron crystallography; ;

    Abstract : Molecular recognition is the key aspect of any cellular and biological function. Two or more molecules interacting with each other cause the effects that drives various basic functions that are fundamental to cells. Be these protein-protein, protein-nucleic acid or protein-ligand interactions, they all play important roles in a cell. READ MORE