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 概括 计算核心同时提供服务组件（帮助CRNA项目有效利用 结构探索、精化、核磁共振分析和序列分析方面的最新工具），并作为重点 技术开发和技术转让（特别是在核磁共振结构测定领域， SAXS 重建和序列分析）。技术开发和转让工作重点是 三个主要领域：（i）使用最新的分子动力学模拟方法和力场来协助 基于晶体学、SAXS 和冷冻电镜数据的结构确定，重点是 开发解释小角度 X 射线散射 (SAXS) 数据并将其结合起来的新方法 来自 NMR 的信息受到限制，(ii) 开发和支持 NMR 谱的集成工具 分析、结构生成和细化，重点是创建新的工具来利用 RNA 结构分析和精炼中的化学变化，以及 (iii) 研究功能性 RNA 的进化 通过分析核苷酸序列数据来确定 HIV-1 基因组中的序列，这将产生新的 用于识别病毒基因组中功能性 RNA 元件的生物信息学方法，以及网络的创建 支持这些 HIV-1 分析的资源。