title: Recommendations of the wwPDB NMR Validation Task Force.
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.
authors.affiliation: 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. Electronic address: guy@cabm.rutgers.edu.
authors.forename: Gaetano T
authors.initials: GT
authors.lastname: Montelione
authors.forename: Michael
authors.initials: M
authors.lastname: Nilges
authors.forename: Ad
authors.initials: A
authors.lastname: Bax
authors.forename: Peter
authors.initials: P
authors.lastname: Güntert
authors.forename: Torsten
authors.initials: T
authors.lastname: Herrmann
authors.forename: Jane S
authors.initials: JS
authors.lastname: Richardson
authors.forename: Charles D
authors.initials: CD
authors.lastname: Schwieters
authors.forename: Wim F
authors.initials: WF
authors.lastname: Vranken
authors.forename: Geerten W
authors.initials: GW
authors.lastname: Vuister
authors.forename: David S
authors.initials: DS
authors.lastname: Wishart
authors.forename: Helen M
authors.initials: HM
authors.lastname: Berman
authors.forename: Gerard J
authors.initials: GJ
authors.lastname: Kleywegt
authors.forename: John L
authors.initials: JL
authors.lastname: Markley
mesh_terms: D026683:Advisory Committees; D030562:Databases, Protein / Q000592:standards*; D017408:Guidelines as Topic; D051188:Knowledge Bases; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry; D011786:Quality Control; D012015:Reference Standards; D054928:Validation Studies as Topic
chemical_list: D011506:Proteins