Sökning: "Shina C. Lynn Kamerlin"

Hittade 3 avhandlingar innehållade orden Shina C. Lynn Kamerlin.

  1. 1. Modelling the Protein-DNA Interface

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

    Sammanfattning : 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. LÄS MER

  3. 2. Computational Modeling of the Mechanisms and Selectivity of Organophosphate Hydrolases

    Författare :Miha Purg; Shina C. Lynn Kamerlin; Iñaki Tuñón; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Organophosphate Hydrolase; Computational enzymology; MPH; DFPase; PON1; Empirical Valence Bond; EVB;

    Sammanfattning : Computational modeling is becoming an increasingly integral part of (bio)chemistry, providing a powerful complementary view into the dynamics, binding, and reactivity of biochemical systems. In particular, molecular simulations based on multiscale models are now regularly employed in studies of enzymatic reactions, offering invaluable mechanistic insight through the lens of molecular energy landscapes. LÄS MER

  4. 3. Computational Protein Evolution : Modeling the Selectivity and Promiscuity of Engineered Enzymes

    Författare :Klaudia Szeler; Shina C. Lynn Kamerlin; Mikael Widersten; Maria Ramos; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; enzymes; kinetics; catalysis; density functional theory; empirical valence bond; diesters; evolution; promiscuity; Biokemi; Biochemistry;

    Sammanfattning : Enzymes are biological catalysts that significantly increase the rate of all biochemical reactions that take place within cells and are essential to maintain life. Many questions regarding their function remain unknown. LÄS MER