# NMRbox information management: CONNJUR and BMRB integration

> **NIH NIH P41** · UNIVERSITY OF CONNECTICUT SCH OF MED/DNT · 2020 · $379,926

## Abstract

TRD2 Summary
Biomolecular NMR data computation is complex, requiring both semi-automated and manual processing steps.
The NMRbox platform provides easy access to the myriad software tools used during an individual investigation.
The efforts of TRD1 ensure that all of this software functions within the same operating system environment.
The goals of TRD2 are to provide information management solutions to promote software interoperability across
the NMRbox platform (TRD1) and with the analytics of TRD3; to foster reproducibility through the active curation
of scientific datasets and workflows; to facilitate the integration of experimental and derived data with information
from public databases to generate new knowledge, and to help aggregate this diverse panoply of experimental
data and metadata to create and facilitate richer depositions to the appropriate public data repositories. A key
component to enriching repository depositions is the collection of provenance metadata which reports on the
history or lineage of how computations were orchestrated and intermediate and final results obtained. Knowing
the pathway of how results were obtained is a critical component to reproducing and building upon scientific
claims.
The aims of this project period are fourfold. The CONNJUR data model and CONNJUR software integration
environments (integral components of NMRbox) will be extended to capture more metadata to support the
tracking of provenance (or data lineage), to foster reproducibility, to promote software interoperability both within
and without NMRbox, and to support a richer metadata set for depositions to the public data repositories. In
addition, the workflow management system will be extended to support high-throughput computational workflows
by connecting to powerful job management systems such as HTCondor and DAGMan. The data and process
logging capabilities of NMRbox will be used for automatic harvesting of whatever metadata can be gleaned by
these mechanisms. Finally, more direct access to BMRB resources will be provided through direct machine-to-
machine services.

## Key facts

- **NIH application ID:** 9855786
- **Project number:** 2P41GM111135-06
- **Recipient organization:** UNIVERSITY OF CONNECTICUT SCH OF MED/DNT
- **Principal Investigator:** JEFFREY C HOCH
- **Activity code:** P41 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2020
- **Award amount:** $379,926
- **Award type:** 2
- **Project period:** — → —

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/9855786

## Citation

> US National Institutes of Health, RePORTER application 9855786, NMRbox information management: CONNJUR and BMRB integration (2P41GM111135-06). Retrieved via AI Analytics 2026-05-22 from https://api.ai-analytics.org/grant/nih/9855786. Licensed CC0.

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