ArticleJournal of biomolecular NMR2017
INFOS: spectrum fitting software for NMR analysis.
Article in Journal of biomolecular NMR, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 39 citations in OpenAlex.
- Cardiolipin Modulates the Activity of the Intramembrane Protease GlpG Inducing Membrane Restructuring.Journal of the American Chemical Society · 2026Article
- MultiNMRFit: a software to fit 1D and pseudo-2D NMR spectra.Bioinformatics (Oxford, England) · 2025Article
- Analytical Framework to Understand the Origins of Methyl Side-Chain Dynamics in Protein Assemblies.Journal of the American Chemical Society · 2024Article
- Analysis of chi angle distributions in free amino acids via multiplet fitting of proton scalar couplings.Magnetic resonance (Gottingen, Germany) · 2024Article
- High and fast: NMR protein-proton side-chain assignments at 160 kHz and 1.2 GHz.Chemical science · 2023Article
- Molecular elucidation of drug-induced abnormal assemblies of the hepatitis B virus capsid protein by solid-state NMR.Nature communications · 2023Article
- DEEP Picker1D and Voigt Fitter1D: a versatile tool set for the automated quantitative spectral deconvolution of complex 1D-NMR spectra.Magnetic resonance (Gottingen, Germany) · 2023Article
- Materials informatics approach using domain modelling for exploring structure-property relationships of polymers.Scientific reports · 2022Article
- COLMARq: A Web Server for 2D NMR Peak Picking and Quantitative Comparative Analysis of Cohorts of Metabolomics Samples.Analytical chemistry · 2022Article
- Exploration of expanded carbohydrate chemical space to access biological activity using microwave-induced acid condensation of simple sugars.RSC advances · 2022Article
- A method to construct the dynamic landscape of a bio-membrane with experiment and simulation.Nature communications · 2022Article
- The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science.RSC advances · 2021Review
- iPick: Multiprocessing software for integrated NMR signal detection and validation.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2021Article
- Signal Deconvolution and Generative Topographic Mapping Regression for Solid-State NMR of Multi-Component Materials.International journal of molecular sciences · 2021Article
- Experimental Characterization of the Hepatitis B Virus Capsid Dynamics by Solid-State NMR.Frontiers in molecular biosciences · 2021Article
- Asparagine and Glutamine Side-Chains and Ladders in HET-s(218-289) Amyloid Fibrils Studied by Fast Magic-Angle Spinning NMR.Frontiers in molecular biosciences · 2020Article
- Time-domain signal modelling in multidimensional NMR experiments for estimation of relaxation parameters.Journal of biomolecular NMR · 2019Article
- Spinning faster: protein NMR at MAS frequencies up to 126 kHz.Journal of biomolecular NMR · 2019Article
Corrections and comments
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Authors and funding
1 author at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Software for fitting of NMR spectra in MATLAB is presented. Spectra are fitted in the frequency domain, using Fourier transformed lineshapes, which are derived using the experimental acquisition and processing parameters. This yields more accurate fits compared to common fitting methods that use Lorentzian or Gaussian functions. Furthermore, a very time-efficient algorithm for calculating and fitting spectra has been developed. The software also performs initial peak picking, followed by subsequent fitting and refinement of the peak list, by iteratively adding and removing peaks to improve the overall fit. Estimation of error on fitting parameters is performed using a Monte-Carlo approach. Many fitting options allow the software to be flexible enough for a wide array of applications, while still being straightforward to set up with minimal user input.
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Registered trials
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.