Recommendations of the wwPDB NMR Validation Task Force.

Journal Article (Journal Article)

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.

Full Text

Duke Authors

Cited Authors

  • Montelione, GT; Nilges, M; Bax, A; Güntert, P; Herrmann, T; Richardson, JS; Schwieters, CD; Vranken, WF; Vuister, GW; Wishart, DS; Berman, HM; Kleywegt, GJ; Markley, JL

Published Date

  • September 3, 2013

Published In

Volume / Issue

  • 21 / 9

Start / End Page

  • 1563 - 1570

PubMed ID

  • 24010715

Pubmed Central ID

  • PMC3884077

Electronic International Standard Serial Number (EISSN)

  • 1878-4186

Digital Object Identifier (DOI)

  • 10.1016/j.str.2013.07.021


  • eng

Conference Location

  • United States