Search for dissertations about: "fragment-based virtual screening"

Found 2 swedish dissertations containing the words fragment-based virtual screening.

  2. 1. Computer-Assisted Carbohydrate Structural Studies and Drug Discovery

    Author : Magnus Lundborg; Göran Widmalm; Hans-Christian Siebert; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; molecular docking; molecular dynamics simulation; fragment-based virtual screening; NMR spectroscopy; computer-aided drug design; computer-aided structure elucidation; glycosyltransferases; Escherichia coli; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Abstract : Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. READ MORE

  4. 2. Anti-Virulence Strategy Targeting Sortase A, A Structural Investigation of the Sortase A Enzyme, and the Identification, Synthesis, and Evaluation of Sortase A Inhibitors

    Author : Ivana Uzelac; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Kemi;

    Abstract : The emergence of multi-resistant bacteria and their continuous spread is one of the greatest challenges when treating bacterial infections. Increased understanding of bacterial pathogenesis has revealed new strategies for treating bacteria-mediated diseases. READ MORE