Towards Ultimate NMR Resolution with Deep Learning
type: Dataset
distribution: Landing page for the dataset
description: The dataset contains processed solution-state protein NMR spectra of MALT1 (45 kDa), Azurin (14 kDa), and Tau (disordered, 45.8 kDa), derived from experimentally recorded 2D and 3D data obtained in earlier studies and published previously: (1) DOI: 10.1371/journal.pone.0146496; DOI: 10.1007/s12104-022-10105-3; (2) DOI: 10.1110/ps.0225403; (3) DOI: 10.1002/anie.202102758 All processed data are stored in NMRPipe format (.ft2 and .ft3 files) and were generated using standard NMR processing procedures. The data can be read and visualized using NMRPipe-compatible software, such as NMRPipe (https://www.ibbr.umd.edu/nmrpipe/), the nmrglue Python package (https://github.com/jjhelmus/nmrglue), or other software supporting the NMRPipe format, including CCPN 3.0 (https://ccpn.ac.uk/) and later versions. These processed spectra are used as input files for AI-based methods to improve NMR spectral resolution.
description: Datamängden innehåller bearbetade lösningstillstånds-protein-NMR-spektra för MALT1 (45 kDa), Azurin (14 kDa) och Tau (ostrukturerat, 45,8 kDa), härledda från experimentellt inspelade 2D- och 3D-data som erhållits i tidigare studier och publicerats tidigare: (1) DOI: 10.1371/journal.pone.0146496; DOI: 10.1007/s12104-022-10105-3; (2) DOI: 10.1110/ps.0225403; (3) DOI: 10.1002/anie.202102758. All bearbetad data lagras i NMRPipe-format (.ft2- och .ft3-filer) och har genererats med hjälp av standardiserade NMR-bearbetningsprocedurer. Datan kan läsas och visualiseras med programvara som är kompatibel med NMRPipe, såsom NMRPipe (https://www.ibbr.umd.edu/nmrpipe/ ), Python-paketet nmrglue (https://github.com/jjhelmus/nmrglue ) eller annan programvara som stöder NMRPipe-formatet, inklusive CCPN 3.0 (https://ccpn.ac.uk/ ) och senare versioner. Dessa bearbetade spektra används som indatafiler för AI-baserade metoder för att förbättra NMR-spektral upplösning. @sv
modified: 2026-03-04T10:39:37.525111Z
issued: 2026-03-04T10:39:37.525111Z
publisher: University of Gothenburg
access rights: PUBLIC
qualified attribution: Attribution
  had role: principalInvestigator
  agent: Tatiana Agback
    type: Agent
    account: https://orcid.org/0000-0003-1325-6024
    type: PrivateIndividual(s)
qualified attribution: Attribution
  had role: principalInvestigator
  agent: Vladislav Orekhov
    type: Agent
    account: https://orcid.org/0000-0002-7892-6896
    type: PrivateIndividual(s)
keyword: NMR spectroscopy
keyword: NMR-spektroskopi @sv
keyword: Deep Learning
keyword: Djupinlärning @sv
keyword: MALT1
keyword: 3D spectra processing NMR spectra
keyword: Bearbetning av 3D-NMR-spektra @sv
keyword: Ultimate NMR Resolution
keyword: Ultimat NMR-upplösning @sv
temporal: PeriodOfTime
  start date: 2023
  end date: 2025
language: ENG

Landing page for the dataset
type: Distribution
title: Landningssida för datasetet @sv
access URL: Towards Ultimate NMR Resolution with Deep Learning
availability: stable

University of Gothenburg
type: Agent
name: Göteborgs universitet @sv
type: Academia-ScientificOrganisation
source: 01tm6cn81