Search for dissertations about: "Maria E.s. Lind"

Found 2 swedish dissertations containing the words Maria E.s. Lind.

2. 1. Quantum Chemical Modeling of Asymmetric Enzymatic Reactions

   Author : Maria E. S. Lind; Fahmi Professor; Rajeev Prabhakar; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; biocatalysis; enantioselectivity; density functional theory; B3LYP; enzyme; hydrolysis; decarboxylation; Organic Chemistry; organisk kemi;

   Abstract : Computational methods are very useful tools in the study of enzymatic reactions, as they can provide a detailed understanding of reaction mechanisms and the sources of various selectivities. In this thesis, density functional theory has been employed to examine four different enzymes of potential importance for biocatalytic applications. READ MORE

4. 2. Quantum Chemical Modeling of Asymmetric Enzymatic Reactions : Applications to Limonene Epoxide Hydrolase and Arylmalonate Decarboxylase

   Author : Maria E.S. Lind; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES;

   Abstract : In this thesis, density functional theory has been employed to study the reactionmechanisms of two enzymes with possible applications in asymmetric biocatalysis.To reproduce and rationalize the stereoselectivity of the enzymes, quite large cluster models that account for the chiral environment of the active site have been used. READ MORE