wwPDB NMR 验证工作组的建议。
Recommendations of the wwPDB NMR Validation Task Force.
机构信息
Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA; Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA.
出版信息
Structure. 2013 Sep 3;21(9):1563-70. doi: 10.1016/j.str.2013.07.021.
As methods for analysis of biomolecular structure and dynamics using nuclear magnetic resonance spectroscopy (NMR) continue to advance, the resulting 3D structures, chemical shifts, and other NMR data are broadly impacting biology, chemistry, and medicine. Structure model assessment is a critical area of NMR methods development, and is an essential component of the process of making these structures accessible and useful to the wider scientific community. For these reasons, the Worldwide Protein Data Bank (wwPDB) has convened an NMR Validation Task Force (NMR-VTF) to work with wwPDB partners in developing metrics and policies for biomolecular NMR data harvesting, structure representation, and structure quality assessment. This paper summarizes the recommendations of the NMR-VTF, and lays the groundwork for future work in developing standards and metrics for biomolecular NMR structure quality assessment.
随着使用核磁共振光谱（NMR）分析生物分子结构和动态的方法不断发展，由此产生的 3D 结构、化学位移和其他 NMR 数据广泛影响着生物学、化学和医学。结构模型评估是 NMR 方法开发的一个关键领域，也是使这些结构更容易被更广泛的科学界获取和使用的过程中的一个重要组成部分。基于这些原因，全球蛋白质数据库（wwPDB）召集了一个 NMR 验证工作组（NMR-VTF），与 wwPDB 合作伙伴一起制定生物核磁共振数据采集、结构表示和结构质量评估的指标和政策。本文总结了 NMR-VTF 的建议，并为未来制定生物核磁共振结构质量评估标准和指标奠定了基础。
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