Evidence map›Paper›PMID 28445744›Full record

ArticleBiophysical journal2017

NMRbox: A Resource for Biomolecular NMR Computation.

Mark W Maciejewski, Adam D Schuyler, Michael R Gryk, Ion I Moraru, Pedro R Romero, Eldon L Ulrich, Hamid R Eghbalnia, Miron Livny, Frank Delaglio, Jeffrey C Hoch

Abstract read
In one paragraph

Article in Biophysical journal, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 322 papers.

0numbers the graph read from it
0cells of the map it votes in
322citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

322 citing papers in PubMed.

  1. Article
  2. Article
  3. Peptides adopt stable omega-loop structures in concentrated sulfuric acid.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  4. Article
  5. Backbone and side chainBiomolecular NMR assignments · 2026
    Article
  6. Article
  7. Article
  8. Article
  9. Biomolecular NMR assignments · 2026
    Article
  10. Article
  11. Harmonizing Peak Matching between Multidimensional NMR Spectra.Journal of chemical information and modeling · 2026
    Article
  12. Article
  13. Review
  14. Article
  15. Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article

262 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Mark W MaciejewskiDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut.
Adam D SchuylerDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut.
Michael R GrykDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut.
Ion I MoraruDepartment of Cell Biology, UConn Health, Farmington, Connecticut.
Pedro R RomeroDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin.
Eldon L UlrichDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin.
Hamid R EghbalniaDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin.
Miron LivnyComputer Sciences Department, University of Wisconsin-Madison, Madison, Wisconsin.
Frank DelaglioInstitute for Bioscience and Biotechnology Research, National Institute of Standards and Technology and the University of Maryland, Rockville, Maryland.
Jeffrey C HochDepartment of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut. Electronic address: hoch@uchc.edu.

Funding

TRD3 NMRbox: Bayesian AnalyticsP41GM111135 · NIGMS · UNIVERSITY OF CONNECTICUT SCH OF MED/DNT · PI HOCH, JEFFREY C · 2015 to 2024
$14.0M
NIGMS NIH HHS P41 GM111135
6 · The paper itself

Abstract

Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users.

Indexed as

Nuclear Magnetic Resonance, BiomolecularSoftwareAccess to InformationBayes TheoremCloud ComputingInternetMetadata

Identifiers

PMID28445744
PMCPMC5406371

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.