Recommendations of the wwPDB NMR Validation Task Force.

Recommendations of the wwPDB NMR Validation Task Force.
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DOI:
10.1016/j.str.2013.07.021
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发表时间:
2013-09-03
期刊:
影响因子:
5.7
通讯作者:
Markley, John L.
Markley, John L.
中科院分区:
生物学2区
文献类型:
--
作者:
Montelione, Gaetano T.;Nilges, Michael;Bax, Ad;Guentert, Peter;Herrmann, Torsten;Richardson, Jane S.;Schwieters, Charles D.;Vranken, Wim F.;Vuister, Geerten W.;Wishart, David S.;Berman, Helen M.;Kleywegt, Gerard J.;Markley, John L.

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随着使用核磁共振波谱(NMR)分析生物分子结构和动力学的方法不断进步,由此产生的3D结构、化学位移和其他核磁共振数据正在广泛影响生物学、化学和医学。结构模型评估是核磁共振方法发展的一个关键领域,是使这些结构对更广泛的科学界可用和有用的过程的重要组成部分。出于这些原因,世界蛋白质数据库(wwPDB)召集了一个核磁共振验证工作组(NMR- vtf),与wwPDB合作伙伴一起制定生物分子核磁共振数据收集、结构表示和结构质量评估的指标和政策。本文总结了核磁共振- vtf的建议,并为今后生物分子核磁共振结构质量评价标准和指标的制定奠定了基础。
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 the 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.
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