Recommendations of the wwPDB NMR Validation Task Force.

TitleRecommendations of the wwPDB NMR Validation Task Force.
Publication TypeJournal Article
Year of Publication2013
AuthorsMontelione, G. T., M. Nilges, A. Bax, P. G√ľntert, T. Herrmann, J. S. Richardson, C. D. Schwieters, W. F. Vranken, G. W. Vuister, D. S. Wishart, H. M. Berman, G. J. Kleywegt, and J. L. Markley
JournalStructure
Volume21
Issue9
Pagination1563-70
Date Published2013 Sep 3
ISSN1878-4186
KeywordsAdvisory Committees, Databases, Protein, Guidelines as Topic, Knowledge Bases, Models, Molecular, Nuclear Magnetic Resonance, Biomolecular, Protein Conformation, Proteins, Quality Control, Reference Standards, Validation Studies as Topic
Abstract

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.

DOI10.1016/j.str.2013.07.021
Alternate JournalStructure
PubMed ID24010715
PubMed Central IDPMC3884077
Grant List075968 / / Wellcome Trust / United Kingdom
088944 / / Wellcome Trust / United Kingdom
BB/E007511/1 / / Biotechnology and Biological Sciences Research Council / United Kingdom
BB/J007471/1 / / Biotechnology and Biological Sciences Research Council / United Kingdom
BB/J007897/1 / / Biotechnology and Biological Sciences Research Council / United Kingdom
BB/K021249/1 / / Biotechnology and Biological Sciences Research Council / United Kingdom
P41 GM103399 / GM / NIGMS NIH HHS / United States
P41 LM005799 / LM / NLM NIH HHS / United States
P41 LM05799 / LM / NLM NIH HHS / United States
R01 GM073930 / GM / NIGMS NIH HHS / United States
R01-GM073930 / GM / NIGMS NIH HHS / United States
U54 GM094597 / GM / NIGMS NIH HHS / United States
U54 GM094597 / GM / NIGMS NIH HHS / United States
subject_category: 
Research group: