Author
University of LeicesterORCID 0000-0001-6172-5097Unclaimed ORCID profile · follow to get notified of new preprints
4 papers
Recent·Most cited
Luca G. Mureddu, Edward J. Brooksbank, Geerten W. Vuister, Frederick W. Muskett
The paper introduces CcpNmr AnalysisDynamics, a unified framework for analyzing NMR relaxation data, enabling reproducible workflows and model-based interpretation of biomolecular dynamics.
Eliza Płoskoń, Kumaran Baskaran, Roberto Tejero…·Geerten W. Vuister
The paper introduces NEF, a standard for NMR data exchange, and demonstrates its application in structure determination, metabolomics, and ligand screening.
Morgan W. Hayward, Luca G. Mureddu, Gary S. Thompson…·Geerten W. Vuister
The paper describes the creation of CASMDB, a database of metabolite annotations for 1D 1H NMR-based metabolomics, enabling accurate simulation and visualization of spectra.
Kumaran Baskaran, Eliza Płoskoń, Roberto Tejero…·Jasmine Y. Young
The paper develops a standardized system for validating biomolecular structures against NMR restraints using NEF and NMR-STAR formats, implemented in the wwPDB OneDep system.