Sökning: "enzymatic reaction"

Visar resultat 1 - 5 av 188 avhandlingar innehållade orden enzymatic reaction.

  1. 1. Quantum Chemical Studies of Enzymatic Reaction Mechanisms

    Författare :Bianca Manta; Fahmi Himo; Lubomir Rulisek; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; density functional theory; B3LYP; enzyme; cluster approach; mechanism; zinc; manganese; cytosine deaminase; ω-transaminase; dinitrogenase reductase-activating glycohydrolase; dual substrate recognition; organisk kemi; Organic Chemistry;

    Sammanfattning : Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of enzymatic reactions can provide a detailed description of the reaction mechanism and elucidate the roles of various residues in the active site. LÄS MER

  3. 2. Quantum Chemical Studies of Enzymatic Reaction Mechanisms : Investigations of Cytosine Deaminase and ω-Transaminase

    Författare :Bianca Manta; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : In this thesis, density functional theory is used to study the reaction mechanisms of two dierent enzymes. Quantum chemical cluster models of the active sites were designed using available crystal structures. LÄS MER

  4. 3. Enzymatic Reduction of Ketones

    Författare :Magnus Carlquist; Teknisk mikrobiologi; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; inhibition; flavonoids; anthracyclines; human carbonyl reductase 1; kinetic resolution; Asymmetric bioreduction; bicyclic diketones; Saccharomyces cerevisiae; Escherichia coli; AKR; SDR;

    Sammanfattning : Methods have been studied for the production of chiral alcohols, which are of importance in organic synthesis of pharmaceuticals, agro-chemicals and fragrances, etc., through the enzymatic or microbial reduction of ketones. LÄS MER

  5. 4. Aldolases for Enzymatic Carboligation : Directed Evolution and Enzyme Structure-Function Relationship Studies

    Författare :Huan Ma; Mikael Widersten; Wolf-Dieter Fessner; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; aldolase; 2-deoxyribose-5-phosphate aldolase; fructose-6-phosphate aldolase; directed evolution; enzyme dynamics; Biokemi; Biochemistry;

    Sammanfattning : The research summarized in this thesis focuses on directed evolution and enzyme mechanism studies of two aldolases: 2-deoxyribose-5-phosphate aldolase (DERA) and fructose-6-phosphate aldolase (FSA).Aldolases are nature’s own catalysts for one of the most fundamental reactions in organic chemistry: the formation of new carbon-carbon bonds. LÄS MER

  7. 5. Reaction mechanism of metalloenzymes studied by theoretical methods

    Författare :Geng Dong; Beräkningskemi; []
    Nyckelord :Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Sammanfattning : Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. LÄS MER