Search for dissertations about: "enantioconvergence"

Found 2 swedish dissertations containing the word enantioconvergence.

  1. 1. Towards Understanding of Selectivity & Enantioconvergence of an Epoxide Hydrolase

    Author : Åsa Janfalk Carlsson; Mikael Widersten; Uwe T. Bornscheuer; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Epoxide hydrolase; Epoxide; Enantioselectivity; Regioselectivity; Enantioconvergence; Crystal structures; Biocatalysis; Immobilization; Transient kinetics; CASTing; Directed evolution; Biokemi; Biochemistry;

    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

  2. 2. Extending the Reach of Computational Approaches to Model Enzyme Catalysis

    Author : Beat Anton Amrein; Shina Caroline Lynn Kamerlin; Adrian Mulholland; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; epoxide hydrolase; enantioselectivity; regioselectivity; enantioconvergence; biocatalysis; empirical valence bond; computational directed evolution;

    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