Sökning: "enantioconvergence"
Hittade 2 avhandlingar innehållade ordet enantioconvergence.
1. Towards Understanding of Selectivity & Enantioconvergence of an Epoxide Hydrolase
Sammanfattning : Epoxide hydrolase I from Solanum tuberosum (StEH1) and isolated variants thereof has been studied for mapping structure-function relationships with the ultimate goal of being able to in silico predict modifications needed for a certain activity or selectivity. To solve this, directed evoultion using CASTing and an ISM approach was applied to improve selectivity towards either of the enantiomeric product diols from (2,3-epoxypropyl)benzene (1). LÄS MER
2. Extending the Reach of Computational Approaches to Model Enzyme Catalysis
Sammanfattning : Recent years have seen tremendous developments in methods for computational modeling of (bio-) molecular systems. Ever larger reactive systems are being studied with high accuracy approaches, and high-level QM/MM calculations are being routinely performed. LÄS MER