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David S. Wishart
Researcher at University of Alberta
Publications - 564
Citations - 93527
David S. Wishart is an academic researcher from University of Alberta. The author has contributed to research in topics: Metabolomics & Medicine. The author has an hindex of 108, co-authored 523 publications receiving 76652 citations. Previous affiliations of David S. Wishart include La Trobe University & International Agency for Research on Cancer.
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Journal ArticleDOI
SHIFTX2: significantly improved protein chemical shift prediction
TL;DR: A new computer program, called SHIFTX2, is described which is capable of rapidly and accurately calculating diamagnetic 1H, 13C and 15N chemical shifts from protein coordinate data and will open the door to many long-anticipated applications of chemical shift prediction to protein structure determination, refinement and validation.
Journal ArticleDOI
MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data
Jianguo Xia,David S. Wishart +1 more
TL;DR: A web-based server, called Metabolite Set Enrichment Analysis (MSEA), is introduced to help researchers identify and interpret patterns of human or mammalian metabolite concentration changes in a biologically meaningful context.
Journal ArticleDOI
NMR Spectroscopy for Metabolomics Research.
Abdul-Hamid M. Emwas,Raja Roy,Ryan T. McKay,Leonardo Tenori,Edoardo Saccenti,G. A. Nagana Gowda,Daniel Raftery,Daniel Raftery,Fatimah Alahmari,Lukasz Jaremko,Mariusz Jaremko,David S. Wishart +11 more
TL;DR: This review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.
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Quantitative metabolomics using NMR
TL;DR: Some of the practical aspects pertaining to NMR-based quantitative metabolomics is described and some of the strengths, limitations and applications of this particular approach to metabolomics are highlighted.
Journal ArticleDOI
Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts.
TL;DR: It is suggested that if NMR-derived structures could be refined using heteronuclear chemical shifts calculated by SHIFTX, their precision could approach that of the highest resolution X-ray structures.