Author

Jonathan R. Wedell

UConn HealthORCID 0000-0002-2247-6259Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 2 Approach:experimental assay· 2 Research Focus:database / resource· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

Charles D. SchwietersiD· 2 shared Adam LiwoiD· 1 shared Alberto PéreziD· 1 shared Aleksandras GutmanasiD· 1 shared Arup MondaliD· 1 shared Benjamin BardiauxiD· 1 shared Binod L. Perera· 1 shared Brian O. SmithiD· 1 shared

Activity by Year

2018-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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2 shared papersBiochemistry

Charles D. SchwietersORCID

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2 papers

Recent·Most cited

The NMR Exchange Format (NEF): Specification and Applications

Eliza Płoskoń, Kumaran Baskaran, Roberto Tejero, Charles D. Schwieters, Benjamin Bardiaux, Peter Güntert, Rasmus H. Fogh, Aleksandras Gutmanas, Edward J. Brooksbank, Masashi Yokochi, David Scott Wishart, Jonathan R. Wedell, Wim Vranken, Daniel Thompson, Gary S. Thompson, , Geerten W. Vuister

The paper introduces NEF, a standard for NMR data exchange, and demonstrates its application in structure determination, metabolomics, and ligand screening.

bioRxiv · Apr 24, 2026 · PreprintBiochemistry

Robust nomenclature and software for enhanced reproducibility in molecular modeling of small molecules

Hesam Dashti, Jonathan R. Wedell, Gabriel Cornilescu, Charles D. Schwieters, William M. Westler, John L. Markley, Hamid R. Eghbalnia

The paper introduces a software pipeline called RUNER for reproducible molecular modeling of small molecules, demonstrating its use on over 4,100 compounds.

bioRxiv · Sep 27, 2018 · PreprintBioinformatics