Sökning: "enzyme mechanism"

Visar resultat 1 - 5 av 564 avhandlingar innehållade orden enzyme mechanism.

  1. 1. Intermediate State Stabilisation in Enzyme Catalysis Structural studies of two serine proteases and a photosynthetic reaction centre

    Författare :Gergely Katona; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; photosynthetic reaction centre; X-ray crystallography; structural mechanism; enzyme kinetics; serine protease; enzyme intermediate; enzyme catalysis;

    Sammanfattning : Enzymes play a key role in every organisms life. They catalyse chemical reactions and may also respond to external stimulus. The reoccurring theme of this thesis is how biologically relevant information can be gleaned from X-ray structures of the enzymes. 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

  4. 3. Quantum Chemical Cluster Modeling of Enzymatic Reactions

    Författare :Rongzhen Liao; Fahmi Himo; Robert Deeth; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cluster approach; density functional theory; B3LYP; enzyme; mechanism; dinuclear; trinuclear; zinc; tungsten; hydrolysis; decarboxylation; formaldehyde oxidation; hydration; methyl transfer; Quantum chemistry; Kvantkemi; organisk kemi; Organic Chemistry;

    Sammanfattning : The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the modeling of enzyme active sites and reaction mechanisms. In this thesis, the reaction mechanisms of several enzymes have been investigated using the hybrid density functional B3LYP. LÄS MER

  5. 4. Quantum Chemical Modeling of Binuclear Zinc Enzymes

    Författare :Shilu Chen; Fahmi Himo; Luca De Gioia; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum Chemical Modeling; Binuclear; Zinc; Enzyme; DFT; Mechanism; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : In the present thesis, the reaction mechanisms of several di-zinc hydrolases have been explored using quantum chemical modeling of the enzyme active sites. The studied enzymes are phosphotriesterase (PTE), aminopeptidase from Aeromonas proteolytica (AAP), glyoxalase II (GlxII), and alkaline phosphatase (AP). LÄS MER

  7. 5. On Catalytic Mechanisms for Rational Enzyme Design Strategies

    Författare :Charlotte Kürten; Per-Olof Syrén; Rudolf Allemann; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; catalytic mechanisms; terpene cyclase; triterpene cyclase; solvent dynamics; protein hydration; thermodynamics; quantum tunneling; polycyclization; natural compounds; ? ?-hydrolase; esterase; amidase; enzyme engineering; biocatalysis; Bioteknologi; Biotechnology;

    Sammanfattning : Enzymes enable life by promoting chemical reactions that govern the metabolism of all living organisms. As green catalysts, they have been extensively used in industry. However, to reach their full potential, engineering is often required, which can benefit from a detailed understanding of the underlying reaction mechanism. LÄS MER