Search for dissertations about: "shina kamerlin"

Showing result 1 - 5 of 7 swedish dissertations containing the words shina kamerlin.

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

    Author : Beat Anton Amrein; Shina Caroline Lynn Kamerlin; Adrian Mulholland; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; 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

  4. 2. Promiscuity and Selectivity in Phosphoryl Transferases

    Author : Alexandre Barrozo; Shina Kamerlin; Qiang Cui; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; phosphate chemistry; linear free energy relationships; phosphatase; catalytic promiscuity; empirical valence bond approach; alkaline phosphatase;

    Abstract : Phosphoryl transfers are essential chemical reactions in key life processes, including energy production, signal transduction and protein synthesis. They are known for having extremely low reaction rates in aqueous solution, reaching the scale of millions of years. READ MORE

  5. 3. Computational modelling of enzyme selectivity

    Author : Paul Bauer; Shina Caroline Lynn Kamerlin; Mikael Widersten; Kenneth Ruud; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; enantiomer; epoxide hydrolase; chiral catalysis; empirical valence bond approach; method development; Biokemi; Biochemistry;

    Abstract : Enantioselective reactions are one of the ways to produce pure chiral compounds. Understanding the basis of this selectivity makes it possible to guide enzyme design towards more efficient catalysts. READ MORE

  6. 4. Computational Modeling of the Structure, Function and Dynamics of Biomolecular Systems

    Author : Yashraj Kulkarni; Shina Kamerlin; Markus Meuwly; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular Dynamics; Empirical Valence Bond; Enzyme Catalysis; Amyloid Beta; Aβ; Triosephosphate Isomerase; TIM; Computational Biochemistry; Computational Enzymology; Biokemi; Biochemistry;

    Abstract : Proteins are a structurally diverse and functionally versatile class of biomolecules. They perform a variety of life-sustaining biological processes with utmost efficiency. A profound understanding of protein function requires knowledge of its structure. READ MORE

  7. 5. Modelling the Protein-DNA Interface

    Author : Malin Lüking; Shina C. Lynn Kamerlin; Ehmke Pohl; Uppsala universitet; []
    Keywords : Protein-DNA interactions; Molecular Dynamics; Coarse-grained simulations; gene regulation; Biokemi; Biochemistry;

    Abstract : Protein-DNA interactions are crucial to life. Several millions of DNA base pair steps are organ- ised, read and protected by proteins in every cell. Protein-DNA interactions must be specific, controllable and reasonably fast. Understanding how these features coexist is one of the great challenges for biochemists and molecular biologists. READ MORE