Sökning: "computational directed evolution"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden computational directed evolution.

  1. 1. 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

  3. 2. Dynamics and Mechanisms of Adaptive Evolution in Bacteria

    Författare :Song Sun; Dan Andersson; Diarmaid Hughes; Josep Casadesús; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; adaptive evolution; mutation; genome rearrangements; antibiotic resistance; gene amplification; genome reduction; directed evolution; Biologi med inriktning mot mikrobiologi; Biology with specialization in Microbiology;

    Sammanfattning : Determining the properties of mutations is fundamental to understanding the mechanisms of adaptive evolution. The major goal of this thesis is to investigate the mechanisms of bacterial adaptation to new environments using experimental evolution. LÄS MER

  4. 3. Extending the Reach of Computational Approaches to Model Enzyme Catalysis

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

    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

  5. 4. Theoretical modeling of metal- and enzyme catalyzed transformations

    Författare :Jonas Nyhlén; Jan-Erling Bäckvall; Timofei Privalov; Walter Thiel; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; density functinal theory; computational chemistry; directed evolution; enzyme; mechanistic studies; catalysis; ruthenium; hydrogen transfer; racemization; artificial photosynthesis; frustrated lewis pairs; hydrogen storage; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Sammanfattning : This thesis is focused on describing and predicting catalytic reactions. The major part of the work is based on density functional theory (DFT). In some cases where the size of the investigated system precluded the use of more accurate methods molecular dynamics was employed. LÄS MER

  7. 5. Design and engineering of human transferrin receptor 1 and its binding proteins

    Författare :Dick J. Sjöström; Sinisa Bjelic; John Löfblom; Linnéuniversitetet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Transferrin receptor; Machupo virus; protein engineering; Rosetta; flow cytometry; directed evolution; Biomedical Sciences; Biomedicinsk vetenskap;

    Sammanfattning : The human transferrin receptor 1 (TfR) is central in maintaining adequate cellular iron levels with the iron carrier proteins transferrin (Tf) and ferritin (Ft). Known to bind TfR is also HFE, another iron regulatory protein, competing with Tf for receptor binding. LÄS MER