Evidence map›Paper›PMID 41350395›Full record

ArticleCommunications chemistry2025

NMR data processing, visualization, analysis and structure calculation with NMRFx.

Ellen Koag, Simon G Hulse, Gregory L Helms, Kevin M Call, Michael F Summers, Jan Marchant, Bruce A Johnson

Abstract read
In one paragraph

Article in Communications chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. The NMR Exchange Format (NEF): Specification and Applications.bioRxiv : the preprint server for biology · 2026
    Article
  2. Modernizing biomolecular NMR: The POKY suite.The Journal of biological chemistry · 2026
    Review
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

7 authors.

Ellen KoagStructural Biology Initiative, Advanced Science Research Center at the CUNY Graduate Center, New York, NY, USA.ORCID http://orcid.org/0009-0003-9581-2625
Simon G HulseStructural Biology Initiative, Advanced Science Research Center at the CUNY Graduate Center, New York, NY, USA.
Gregory L HelmsStructural Biology Initiative, Advanced Science Research Center at the CUNY Graduate Center, New York, NY, USA.
Kevin M CallStructural Biology Initiative, Advanced Science Research Center at the CUNY Graduate Center, New York, NY, USA.
Michael F SummersDepartment of Chemistry and Biochemistry, University of Maryland Baltimore County, Baltimore, MD, USA.
Jan MarchantDepartment of Chemistry and Biochemistry, University of Maryland Baltimore County, Baltimore, MD, USA.
Bruce A JohnsonStructural Biology Initiative, Advanced Science Research Center at the CUNY Graduate Center, New York, NY, USA. bjohnson@gc.cuny.edu.ORCID http://orcid.org/0000-0001-8445-5368

Funding

Center for Structural Biology of HIV RNAU54AI170660 · NIAID · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI ALICE TELESNITSKY · 2022 to 2026
$32.1M
RM1 Center on Macromolecular Dynamics by NMR Spectroscopy at the New York Structural Biology Center (CoMD/NMR)- Equipment Supplement RequestRM1GM145397 · NIGMS · NEW YORK STRUCTURAL BIOLOGY CENTER · PI ARTHUR G PALMER · 2022 to 2026
$8.3M
NMR Studies of Retroviral Nucleic Acid Binding ProteinsR01AI150498 · NIAID · UNIVERSITY OF MARYLAND BALTIMORE COUNTY · PI MICHAEL FINLEY SUMMERS · 2020 to 2026
$5.1M
NMRFx: An Integrated software suite for macromolecular NMR analysisR01GM123012 · NIGMS · ADVANCED SCIENCE RESEARCH CENTER · PI JOHNSON, BRUCE A · 2017 to 2025
$2.6M
NIAID NIH HHS R01 AI150498NIAID NIH HHS U54 AI170660NIGMS NIH HHS R01 GM123012NIGMS NIH HHS RM1 GM145397
6 · The paper itself

Abstract

NMR spectroscopy is applied in many scientific disciplines to derive chemical, structural, and dynamical insights into molecular systems. The utility of the technique depends on robust computational protocols for processing, visualizing, and analyzing data acquired using a wide range of experiments. Here we introduce NMRFx, a software application that integrates and augments features of our existing NMRViewJ and NMRFx Processor applications. NMRFx facilitates data processing, peak picking and assignment, chemical shift prediction, molecular structure calculation, and beyond, through a high-speed, feature-rich graphical user interface. This paper describes advances over existing software and presents a series of case studies that demonstrate its utility in diverse contexts. These case studies include the assignments of the protein ubiquitin, a 36 nucleotide RNA construct, and the natural product taccalonolide E, as well as a metabolomics study of triacylglyceride production in algal cells.

Identifiers

PMID41350395
PMCPMC12714863

What OpenQuestion holds

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LicenceCC BY-NC-ND
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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.