Publications by authors named "Jonathan Wedell"

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Scalable cyberinfrastructure for experimental NMR data.
Jeffrey C Hoch, Katherine Henzler-Wildman, Arthur S Edison, Chad M Rienstra, Christopher Bontempi, Jonathan R Wedell

Sci Data· December 2025

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SAND: Automated Time-Domain Modeling of NMR Spectra Applied to Metabolite Quantification.
Yue Wu, Omid Sanati, Mario Uchimiya, Krish Krishnamurthy, Jonathan Wedell

Anal Chem· February 2024

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Biological Magnetic Resonance Data Bank.
Jeffrey C Hoch, Kumaran Baskaran, Harrison Burr, John Chin, Hamid R Eghbalnia, Jonathan R Wedell

Nucleic Acids Res· January 2023

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Merging NMR Data and Computation Facilitates Data-Centered Research.
Kumaran Baskaran, D Levi Craft, Hamid R Eghbalnia, Michael R Gryk, Jeffrey C Hoch, Jonathan R Wedell

Front Mol Biosci· January 2022

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Anomalous amide proton chemical shifts as signatures of hydrogen bonding to aromatic sidechains.
Kumaran Baskaran, Colin W Wilburn, Jonathan R Wedell, Leonardus M I Koharudin, Eldon L Ulrich

Magn Reson (Gott)· October 2021

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BioMagResBank (BMRB) as a Resource for Structural Biology.
Pedro R Romero, Naohiro Kobayashi, Jonathan R Wedell, Kumaran Baskaran, Takeshi Iwata

Methods Mol Biol· January 2021

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Probabilistic identification of saccharide moieties in biomolecules and their protein complexes.
Hesam Dashti, William M Westler, Jonathan R Wedell, Olga V Demler, Hamid R Eghbalnia

Sci Data· July 2020

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Tools for Enhanced NMR-Based Metabolomics Analysis.
John L Markley, Hesam Dashti, Jonathan R Wedell, William M Westler, Hamid R Eghbalnia

Methods Mol Biol· April 2020

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NMR-STAR: comprehensive ontology for representing, archiving and exchanging data from nuclear magnetic resonance spectroscopic experiments.
Eldon L Ulrich, Kumaran Baskaran, Hesam Dashti, Yannis E Ioannidis, Miron Livny, Jonathan R Wedell

J Biomol NMR· February 2019

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Automated evaluation of consistency within the PubChem Compound database.
Hesam Dashti, Jonathan R Wedell, William M Westler, John L Markley, Hamid R Eghbalnia

Sci Data· February 2019

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Applications of Parametrized NMR Spin Systems of Small Molecules.
Hesam Dashti, Jonathan R Wedell, William M Westler, Marco Tonelli, David Aceti

Anal Chem· September 2018

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Spin System Modeling of Nuclear Magnetic Resonance Spectra for Applications in Metabolomics and Small Molecule Screening.
Hesam Dashti, William M Westler, Marco Tonelli, Jonathan R Wedell, John L Markley

Anal Chem· November 2017

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MolProbity for the masses-of data.
Vincent B Chen, Jonathan R Wedell, R Kent Wenger, Eldon L Ulrich, John L Markley

J Biomol NMR· September 2015

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NMR Exchange Format: a unified and open standard for representation of NMR restraint data.
Aleksandras Gutmanas, Paul D Adams, Benjamin Bardiaux, Helen M Berman, David A Case, Jonathan R Wedell

Nat Struct Mol Biol· June 2015

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The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries.
Jurgen F Doreleijers, Wim F Vranken, Christopher Schulte, Jundong Lin, Jonathan R Wedell

J Biomol NMR· December 2009

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