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    Comparison of Coarse-Grained and Atomistic-Level Simulations for Aminoacyl-tRNA Synthetases

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    File(s)
    StromSpr2013.pdf (1.708Mb)
    Date
    2013-05
    Author
    Strom, Alexander M.
    Yang, Yer
    Tadayon, Stephanie N.
    Advisor(s)
    Bhattacharyay, Sudeep
    Hati, Sanchita
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    Abstract
    Aminoacyl-tRNA Synthetases are a group of multi-domain enzymes responsible for catalyzing the covalent attachment of an amino acid to its corresponding tRNA forming an aminoacyl-tRNA. A characteristic of AARSs is the large scale conformational changes they undergo during enzymatic activity. These large scale motions alternate the protein back and forth between its unbound inactive state, and its bound active state. The differences between three different simulation types--normal mode analysis (NMA), atomistic-level molecular dynamics (MD) and coarse-grained molecular dynamics simulations (CMD)--were observed. By examining these three methods, the purpose of this study was to determine a more economical yet accurate approach for investigating large, multi-domain proteins like aminoacyl-tRNA synthetases using today's computational tools.
    Subject
    Chemistry--Computer simulations
    RNA-protein interactions
    Aminocycl-tRNA synthetases
    Posters
    Permanent Link
    http://digital.library.wisc.edu/1793/67213
    Type
    Presentation
    Description
    Color poster with text, diagrams, images, charts, graphs, and tables.
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