Search for dissertations about: "Sinisa Bjelic"

Found 2 swedish dissertations containing the words Sinisa Bjelic.

  2. 1. Molecular Simulation of Enzyme Catalysis and Inhibition

    Author : Sinisa Bjelic; Johan Åqvist; Adrian J. Mulholland; Uppsala universitet; []
    Keywords : Theoretical chemistry; enzyme catalysis; enzyme inhibition; computer simulations; molecular dynamics; empirical valence bond method; structure-based inhibitor design; Teoretisk kemi;

    Abstract : The reaction mechanisms for the hemoglobin degrading enzymes in the Plasmodium falciparum malaria parasite, plasmepsin II (Plm II) and histo-aspartic protease (HAP), have been analyzed by molecular simulations. The reaction free energy profiles, calculated by the empirical valence bond (EVB) method in combination with molecular dynamics (MD) and free energy perturbation (FEP) simulations are in good agreement with experimental data. READ MORE

  4. 2. Design and engineering of human transferrin receptor 1 and its binding proteins

    Author : Dick J. Sjöström; Sinisa Bjelic; John Löfblom; Linnéuniversitetet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Transferrin receptor; Machupo virus; protein engineering; Rosetta; flow cytometry; directed evolution; Biomedical Sciences; Biomedicinsk vetenskap;

    Abstract : The human transferrin receptor 1 (TfR) is central in maintaining adequate cellular iron levels with the iron carrier proteins transferrin (Tf) and ferritin (Ft). Known to bind TfR is also HFE, another iron regulatory protein, competing with Tf for receptor binding. READ MORE