Merging NMR Data and Computation Facilitates Data-Centered Research.
data federation
data repositories
nuclear magnetic resonance
reproducible research
structural biology
Journal
Frontiers in molecular biosciences
ISSN: 2296-889X
Titre abrégé: Front Mol Biosci
Pays: Switzerland
ID NLM: 101653173
Informations de publication
Date de publication:
2021
2021
Historique:
received:
17
11
2021
accepted:
23
12
2021
entrez:
3
2
2022
pubmed:
4
2
2022
medline:
4
2
2022
Statut:
epublish
Résumé
The Biological Magnetic Resonance Data Bank (BMRB) has served the NMR structural biology community for 40 years, and has been instrumental in the development of many widely-used tools. It fosters the reuse of data resources in structural biology by embodying the FAIR data principles (Findable, Accessible, Inter-operable, and Re-usable). NMRbox is less than a decade old, but complements BMRB by providing NMR software and high-performance computing resources, facilitating the reuse of software resources. BMRB and NMRbox both facilitate reproducible research. NMRbox also fosters the development and deployment of complex meta-software. Combining BMRB and NMRbox helps speed and simplify workflows that utilize BMRB, and enables facile federation of BMRB with other data repositories. Utilization of BMRB and NMRbox in tandem will enable additional advances, such as machine learning, that are poised to become increasingly powerful.
Identifiants
pubmed: 35111815
doi: 10.3389/fmolb.2021.817175
pii: 817175
pmc: PMC8802229
doi:
Types de publication
Journal Article
Review
Langues
eng
Pagination
817175Informations de copyright
Copyright © 2022 Baskaran, Craft, Eghbalnia, Gryk, Hoch, Maciejewski, Schuyler, Wedell and Wilburn.
Déclaration de conflit d'intérêts
The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
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