Core 4 - Computation Core

核心4-计算核心

• 批准号: 10245112
• 负责人: David A Case
• 金额: $ 23.84万
• 依托单位: UNIVERSITY OF MICHIGAN AT ANN ARBOR
• 依托单位国家: 美国
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-09-17 至 2023-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/10245112
• 关键词: Amber; Area; Base Sequence; Bioinformatics; Chemicals; Communities; Cryoelectron Microscopy; Crystallography; Data; Development; Elements; Evolution; Generations; Genetic Variation; HIV; HIV Genome; HIV-1; Lead; Methods; Molecular Conformation; Publishing; RNA; RNA Sequences; Research Personnel; Roentgen Rays; Sampling; Sequence Analysis; Services; Software Framework; Spectrum Analysis; Structure; Techniques; Technology; Technology Transfer; Testing; Untranslated RNA; Viral Genome; Visualization; Work; base; computerized data processing; experimental study; molecular dynamics; novel; online resource; programs; reconstruction; restraint; simulation; technology development; tool

Core 4: Computation Summary The Computation Core provides both a service component (helping CRNA projects to make effective use of up-to-date tools in structure exploration, refinement, NMR analysis, and sequence analysis), and as a focus for technology development and technology transfer (especially in the areas of NMR structure determination, SAXS reconstructions, and sequence analysis). The technology development and transfer work focuses on three main areas: (i) using up-to-date molecular dynamics simulation methods and force fields to assist in structure determination based on crystallography, SAXS and cryo-EM data with a key emphasis on the development of novel ways to interpret small-angle X-ray scattering (SAXS) data and to combine this information with restraints derived from NMR, (ii) developing and supporting integrated tools for NMR spectrum analysis and structure generation and refinement with a key focus on creating novel tools to make use of chemical shifts in RNA structure analysis and refinement, and (iii) investigating the evolution of functional RNA sequences in the HIV-1 genome through analysis of nucleotide sequence data, which will lead to novel bioinformatics methods for identifying functional RNA elements in viral genomes, and the creation of a web resource to support these analyses for HIV-1.

核心4：计算 总结 计算核心提供了服务组件（帮助CRNA项目有效利用 最新的工具，在结构勘探，细化，核磁共振分析，和序列分析），并作为一个重点， 技术开发和技术转让（特别是在NMR结构测定领域， SAXS重建和序列分析）。技术开发和转让工作的重点是 三个主要领域：㈠利用最新的分子动力学模拟方法和力场， 基于晶体学，SAXS和cryo-EM数据的结构确定，重点是 开发新的方法来解释小角X射线散射（SAXS）数据，并将其联合收割机 信息与限制来自核磁共振，（ii）开发和支持综合工具核磁共振谱 分析和结构生成和细化，重点是创建新的工具， RNA结构分析和细化中的化学位移，以及（iii）研究功能RNA的进化 通过分析核苷酸序列数据，在HIV-1基因组中的序列，这将导致新的 用于识别病毒基因组中功能性RNA元件的生物信息学方法，以及创建网络 支持这些HIV-1分析的资源。