NMReDATA: Tools and applications (original) (raw)

NMReDATA, a standard to report the NMR assignment and parameters of organic compounds

Mikhail Elyashberg

Magnetic resonance in chemistry : MRC, 2018

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INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY* WORKING PARTY ON COMPUTERIZED NMR DATABASESt GUIDELINES ON NUCLEAR MAGNETIC RESONANCE COMPUTERIZED DATABASES

Charles L. Wilkins

1995

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nmrML: a community supported open data standard for the description, storage, and exchange of NMR data

Christian Ludwig

Analytical chemistry, 2017

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CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

Simon Skinner

Journal of biomolecular NMR, 2016

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NP-MRD: the Natural Products Magnetic Resonance Database

SAURAV SARMA

Nucleic Acids Research, 2021

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From raw data to data-analysis for magnetic resonance spectroscopy – the missing link: jMRUI2XML

P. Lisboa

BMC Bioinformatics, 2015

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APART: Automated Preprocessing for NMR Assignments with Reduced Tedium

Ryszard Michalczyk

Bioinformatics, 2005

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NRG-CING: integrated validation reports of remediated experimental biomolecular NMR data and coordinates in wwPDB

Wim F Vranken, Wim Vranken, John Markley

Nucleic Acids Research, 2012

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BioMagResBank database with sets of experimental NMR constraints corresponding to the structures of over 1400 biomolecules deposited in the Protein Data Bank

John Markley

Journal of biomolecular NMR, 2003

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Essential parameters for structural analysis and dereplication by 1H NMR spectroscopy

L. Chadwick

2014

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Birmingham Metabolite Library: a publicly accessible database of 1-D 1 H and 2-D 1 H J -resolved NMR spectra of authentic metabolite standards (BML-NMR)

Theodoros Arvanitis

Metabolomics

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Oregon NMR Consortium: A Collaboratory for NMR Data Acquisition and Processing

Carlisle Chambers

ACS Symposium Series, 2013

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NMRb: a web-site repository for raw NMR datasets

dominique tramesel

Bioinformatics, 2004

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NMRbox: A Resource for Biomolecular NMR Computation

Hamid Eghbalnia

Biophysical journal, 2017

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Guidelines on nuclear magnetic resonance computerized databases (IUPAC Recommendations 1995)

Charles L. Wilkins

Pure and Applied Chemistry, 1995

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An automated system designed for large scale NMR data deposition and annotation: application to over 600 assigned chemical shift data entries to the BioMagResBank from the Riken Structural Genomics/Proteomics Initiative internal database

Hideo Akutsu

Journal of Biomolecular NMR, 2012

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NMR Exchange Format: a unified and open standard for representation of NMR restraint data

John Westbrook

Nature Structural & Molecular Biology, 2015

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An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data

Bart Goethals

2011

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DAMARIS — a flexible and open software platform for NMR spectrometer control

Nikolaus Nestle

Magnetic Resonance Imaging, 2007

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Straightforward and complete deposition of NMR data to the PDBe

Wim Vranken

Journal of Biomolecular NMR, 2010

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Recommendations of the wwPDB NMR Validation Task Force

Wim Vranken

Structure, 2013

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Development and Use of a Virtual NMR Facility

Raymond A Bair

Journal of Magnetic Resonance, 2000

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SPINS: A laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations

Daniel Monleon

Proteins-structure Function and Bioinformatics, 2006

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Iterative Development of an Application to Support Nuclear Magnetic Resonance Data Analysis of Proteins

Ronald Nowling

2011 Eighth International Conference on Information Technology: New Generations, 2011

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NMR-STAR: comprehensive ontology for representing, archiving and exchanging data from nuclear magnetic resonance spectroscopic experiments

John Markley

Journal of Biomolecular NMR

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A carbon-13 nuclear magnetic resonance spectral data base and search system

S.R. Heller

Organic Magnetic Resonance, 1978

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Reference and normalization methods: Essential tools for the intercomparison of NMR spectra

Illa Tea

Journal of Pharmaceutical and Biomedical Analysis, 2014

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CONNJUR spectrum translator: an open source application for reformatting NMR spectral data

Heidi Ellis

Journal of Biomolecular Nmr, 2011

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rNMR: open source software for identifying and quantifying metabolites in NMR spectra

John Markley

Magnetic Resonance in Chemistry, 2009

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