CONNJUR R: an annotation strategy for fostering reproducibility in bio-NMR-protein spectral assignment.

ABSTRACT: Reproducibility is a cornerstone of the scientific method, essential for validation of results by independent laboratories and the sine qua non of scientific progress. A key step toward reproducibility of biomolecular NMR studies was the establishment of public data repositories (PDB and BMRB). Nevertheless, bio-NMR studies routinely fall short of the requirement for reproducibility that all the data needed to reproduce the results are published. A key limitation is that considerable metadata goes unpublished, notably manual interventions that are typically applied during the assignment of multidimensional NMR spectra. A general solution to this problem has been elusive, in part because of the wide range of approaches and software packages employed in the analysis of protein NMR spectra. H

SUBMITTER: Fenwick M 

PROVIDER: S-EPMC4864978 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature