MERGING PHYSICAL BIOINFORMATICS AND MOLECULAR SIMULATIONS INVESTIGATING THE FUN

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The primary goals of this research program are to investigate the function and formation of protein-RNA complexes involved in the translation process. The computer time requested in this LRAC renewal will be primarily applied to the study of cysteinyl-tRNA synthetase, elongation factor Tu, and ribosomal proteins, all of which interact with various RNA molecules. A smaller amount of time is requested for use in quantum mechanical calculations for parameterizing amino acid precursors related to the origins of the genetic code. Our approach involves integrating evolution and bioinformatic data into both full atom molecular dynamics simulations and coarse-grained models. This is a continuing research program that is currently using computing resources allocated under LRAC grant MCA03S027S.