TR&D4: Integrated pipeline for data analysis

TR

• 批准号: 10194536
• 负责人: ARTHUR G PALMER
• 金额: $ 13.86万
• 依托单位: NEW YORK STRUCTURAL BIOLOGY CENTER
• 依托单位国家: 美国
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-06-01 至 2022-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/10194536
• 关键词: Anisotropy; Back; Biological; Chemicals; Collaborations; Communities; Complex; Computer software; Computers; Data; Data Analyses; Development; Diffusion; Ensure; Experimental Designs; Feedback; Generations; Investigation; Kinetics; Knowledge; Laboratories; Lead; Methods; Modernization; Molecular Conformation; NMR Spectroscopy; Outcome; Physiologic pulse; Process; Protocols documentation; Relaxation; Research Personnel; Rotation; Scheme; Scientist; Services; Site; Specialist; Speed; Statistical Data Interpretation; Techniques; Time; Validation; Writing; computer program; data acquisition; data analysis pipeline; data pipeline; experience; experimental study; improved; macromolecule; model building; molecular dynamics; novel; physical process; programs; software development; solid state; solid state nuclear magnetic resonance; technology research and development; user friendly software

TR&D4 - Integrated pipeline for data analysis Summary Computer programs are essential to the practice of modern NMR spectroscopy, because the quantity of data and the sophistication of the requisite numerical analyses simply cannot be treated without application of efficient and high-speed software. This situation, which applies across all of biological NMR spectroscopy, is particularly critical in applications to conformational dynamics of biological macromolecules because the underlying physical processes are highly complex and the NMR data under the best of circumstances cannot fully capture such complexities. In such an under-determined situation, careful data quantification, model-building, statistical analysis, and cross-validation are essential to generation of robust results. Existing software for analysis of spin relaxation and other NMR data for such investigations largely has been written for expert users by experts in the NMR techniques (but not necessarily expert computer scientists) and is largely piecemeal. For effective promulgation of the experimental technological research and developments at the Center on Macromolecular Dynamics by NMR Spectroscopy (CoMD/NMR) to the broader scientific community, modern, integrated, user-friendly software programs and data analysis pipelines are essential. TR&D4 will develop the necessary software in a feedback cycle with the other TR&D and DBP components, building on the pioneering efforts of the lead investigators for this TR&D.

TR&D4 -用于数据分析的集成管道