• Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations 

      Wilkins, Ryan Scott; Lund, Bjarte Aarmo; Isaksen, Geir Villy; Åqvist, Johan Lennart Gösta; Brandsdal, Bjørn Olav (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-12-19)
      Chorismate mutase (CM) enzymes have long served as model systems for benchmarking new methods and tools in computational chemistry. Despite the enzymes’ prominence in the literature, the extent of the roles that activation enthalpy and entropy play in catalyzing the conversion of chorismate to prephenate is still subject to debate. Knowledge of these parameters is a key piece in fully understanding ...
    • Mechanisms of enzyme adaptation to extreme environments: The rational design of a thermophilic chorismate mutase 

      Wilkins, Ryan Scott (Doctoral thesis; Doktorgradsavhandling, 2024-02-26)
      <p>Extremophiles, especially those living in high-temperature environments, exhibit unique enzymatic mechanisms that allow survival under conditions detrimental to most life forms. Of particular interest is thermophiles, which are able to thrive at temperatures at which psychrophiles and mesophiles unfold and cease to function. The mechanisms by which these enzymes are able to overcome this temperature ...