MERGING PHYSICAL BIOINFORMATICS AND MOLECULAR SIMULATIONS INVESTIGATING THE FUN

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 该研究计划的主要目标是研究参与翻译过程的蛋白质-RNA复合物的功能和形成。本次LRAC更新所需的计算机时间将主要用于半胱氨酰-tRNA合成酶、延伸因子Tu和核糖体蛋白的研究，所有这些蛋白都与各种RNA分子相互作用。需要较少的时间用于量子力学计算，以参数化与遗传密码起源相关的氨基酸前体。我们的方法包括将进化和生物信息学数据整合到全原子分子动力学模拟和粗粒度模型中。这是一个持续的研究计划，目前正在使用根据LRAC资助MCA 03 S 027 S分配的计算资源。

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.