# Center for Biomolecular NMR Data Processing and Analysis

> **NIH NIH P41** · UNIVERSITY OF CONNECTICUT SCH OF MED/DNT · 2022 · $166,649

## Abstract

PROJECT SUMMARY/ABSTRACT (Parent award)
Computation plays a critical role in biomolecular applications of nuclear magnetic resonance spectroscopy
(NMR), such as structural biology, metabolomics studies, disease diagnostics, and drug discovery. Powerful
software packages from a variety of sources facilitate computation in bio-NMR, but challenges include the
difficulty of disseminating and maintaining a diverse set of software for a diverse set of computer platforms,
communication between software packages, and the lack of persistence of software. The aim of this proposal
is to support continued operation of a Center for NMR Data Processing and Analysis that will simplify
dissemination, support, and use of a broad range of widely-used NMR data processing and analysis software
packages. Central components of the project include the use of virtualization technology to provide a “zero
configuration” software environment that requires no configuration on the part of users. The virtualized
environment will run on almost any computer platform and simplify both dissemination and maintenance. An
archive will ensure software persistence that is essential for reproducible research. The Center will establish a
publicly accessible website for discovery, evaluation, and access to a diverse set of NMR software, and will
develop tools for interoperation among software packages. In addition to a single, unified downloadable
package, the platform will be made available for remote access, as a Platform as a Service (PaaS). By
facilitating the deployment, utilization, interoperation, and persistence of advanced software for biomolecular
NMR, the resource will advance the application of biomolecular NMR for a wide range of challenging
applications in biomedicine, and help ensure the reproducibility of bio-NMR studies.

## Key facts

- **NIH application ID:** 10581846
- **Project number:** 3P41GM111135-08S1
- **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:** 2022
- **Award amount:** $166,649
- **Award type:** 3
- **Project period:** 2015-09-01 → 2025-05-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10581846

## Citation

> US National Institutes of Health, RePORTER application 10581846, Center for Biomolecular NMR Data Processing and Analysis (3P41GM111135-08S1). Retrieved via AI Analytics 2026-05-26 from https://api.ai-analytics.org/grant/nih/10581846. Licensed CC0.

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