Search for dissertations about: "EVB"

Showing result 1 - 5 of 11 swedish dissertations containing the word EVB.

  1. 1. Computational Modeling of the Mechanisms and Selectivity of Organophosphate Hydrolases

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Miha Purg; Shina C. Lynn Kamerlin; Iñaki Tuñón; [2018]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Organophosphate Hydrolase; Computational enzymology; MPH; DFPase; PON1; Empirical Valence Bond; EVB;

    Abstract : Computational modeling is becoming an increasingly integral part of (bio)chemistry, providing a powerful complementary view into the dynamics, binding, and reactivity of biochemical systems. In particular, molecular simulations based on multiscale models are now regularly employed in studies of enzymatic reactions, offering invaluable mechanistic insight through the lens of molecular energy landscapes. READ MORE

  2. 2. Enzyme Cold Adaptation through Evolution of Protein Flexibility

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Jaka Sočan; Johan Åqvist; Hugo Gutiérrez-de-Terán; Janez Mavri; [2020]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; EVB; Empirical valence bond method; Pancreatic elastase; α-amylase; Enzyme catalysis; Enzyme evolution; Cold adaptation; Temperature dependence of catalytic rates; Psychrophilic enzyme; Molekylär biovetenskap; Molecular Life Sciences;

    Abstract : What lives, evolves. Macromolecular catalysis is a process, central to both evolutionary and metabolic aspect of life, as it provides a systematic bias favouring certain chemical processes. READ MORE

  3. 3. The impact of micro environmental factors on EVB carrying B cells

    University dissertation from Stockholm : Karolinska Institutet, Dept of Microbiology, Tumor and Cell Biology

    Author : Liang Wu; Karolinska Institutet.; Karolinska Institutet.; [2013]
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES;

    Abstract : Epstein-Barr virus (EBV) is a human gamma-herpes virus that colonized more than 90% of the adult population. The virus is able to infect and immortalize B lymphocytes both in vitro and in vivo. READ MORE

  4. 4. Computer simulations of ribosome reactions

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Stefan Trobro; Johan Åqvist; Arieh Warshel; [2008]
    Keywords : Molecular biology; ribosomal termination; Empirical valence bond; peptidyl transfer; Molekylärbiologi;

    Abstract : Peptide bond formation and translational termination on the ribosome have been simulated by molecular mechanics, free energy perturbation, empirical valence bond (MD/FEP/EVB) and automated docking methods. Recent X-ray crystallographic data is used here to calculate the entire free energy surface for the system complete with substrates, ribosomal groups, solvent molecules and ions. READ MORE

  5. 5. Computational modelling of enzyme selectivity

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Paul Bauer; Shina Caroline Lynn Kamerlin; Mikael Widersten; Kenneth Ruud; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; enantiomer; epoxide hydrolase; chiral catalysis; empirical valence bond approach; method development; Biokemi; Biochemistry;

    Abstract : Enantioselective reactions are one of the ways to produce pure chiral compounds. Understanding the basis of this selectivity makes it possible to guide enzyme design towards more efficient catalysts. READ MORE