title: [COMPUTATIONAL MODELING OF MOLECULAR DYNAMICS OF G41R MUTANT FORM OF HUMAN TYROSYL-tRNA SYNTHETASE, ASSOSIATED WITH CHARCOT-MARIE-TOOTH NEUROPATHY].
abstract: The computational structural models of human tyrosyl-tRNA synthetase and its mutant form G41R (Charcot-Marie-Tooth associated) were constructed, while their whole structural coordinates are still unknown. Grid-services of MolDynGrid Virtual Laboratory and Ukrainian National Grid-infrastructure were used for molecular dynamics (MD) simulations. The analyses of trajectories of MD simulations have shown the β-sheet formation in region Lys147 - Glu157 between H9 and H10 helices (CP1 insertion of Rossman fold) for G41R mutant.
authors.forename: O V
authors.initials: OV
authors.lastname: Savytskyi
authors.forename: A I
authors.initials: AI
authors.lastname: Kornelyuk
mesh_terms: D000595:Amino Acid Sequence; D002607:Charcot-Marie-Tooth Disease / Q000201:enzymology; D006801:Humans; D056004:Molecular Dynamics Simulation; D008969:Molecular Sequence Data; D009154:Mutation; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D014448:Tyrosine-tRNA Ligase / Q000737:chemistry*
chemical_list: D014448:Tyrosine-tRNA Ligase