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

File(s)
Date
2013-05Author
Strom, Alexander M.
Yang, Yer
Tadayon, Stephanie N.
Advisor(s)
Bhattacharyya, Sudeep
Hati, Sanchita
Metadata
Show full item recordAbstract
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/1793/67213Description
Color poster with text, diagrams, images, charts, graphs, and tables.