Sökning: "Manta"

Hittade 2 avhandlingar innehållade ordet Manta.

  1. 1. 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

  3. 2. 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