||I U P A C
Organizations & People
Chem., Vol. 70, No. 1, pp. 117-142, 1998.
IUPAC-IUBMB-IUPAB INTER-UNION TASK GROUP
ON THE STANDARDIZATION OF DATA BASES OF PROTEIN AND NUCLEIC ACID STRUCTURES
DETERMINED BY NMR SPECTROSCOPY
Recommendations for the Presentation
of NMR Structures of Proteins and Nucleic Acids
J.L. Markley, A. Bax, Y. Arata, C. W. Hilbers,
R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich
Abstract: The recommendations
presented here are designed to support easier communication of NMR data and
NMR structures of proteins and nucleic acids through unified nomenclature
and reporting standards. Much of this document pertains to the reporting of
data in journal articles; however, in the interest of the future development
of structural biology, it is desirable that the bulk of the reported information
be stored in computer-accessible form and be freely accessible to the scientific
community in standardized formats for data exchange. These recommendations
stem from an IUPAC-IUBMB-IUPAB inter-union venture with the direct involvement
of ICSU and CODATA. The Task Group has reviewed previous formal recommendations
and has extended them in the light of more recent developments in the field
of biomolecular NMR spectroscopy. Drafts of the recommendations presented
here have been examined critically by more than 50 specialists in the field
and have gone through two rounds of extensive modification to incorporate
suggestions and criticisms.
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