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Found 2 swedish dissertations matching the above criteria.
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1. Towards Understanding of Selectivity & Enantioconvergence of an Epoxide Hydrolase
Abstract : 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). READ MORE
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2. Extending the Reach of Computational Approaches to Model Enzyme Catalysis
Abstract : 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. READ MORE