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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