Sökning: "Kathrin Hopmann"
Hittade 2 avhandlingar innehållade orden Kathrin Hopmann.
1. Quantum chemical studies of epoxide-transforming enzymes
Sammanfattning : Density functional theory is employed to study the reaction mechanisms of different epoxide-transforming enzymes. Calculations are based on quantum chemical active site models, which are build from X-ray crystal structures. The models are used to study conversion of various epoxides into their corresponding diols or substituted alcohols. LÄS MER
2. Nitrile Hydratases and Epoxide-Transforming Enzymes : Quantum Chemical Modeling of Reaction Mechanisms and Selectivities
Sammanfattning : Quantum chemical studies of enzymatic reactions are able to provide detailed insight into mechanisms and catalytic strategies. The energetic feasibility of proposed mechanisms can be established, and new possible reaction pathways can be put forward. LÄS MER