Works by Wishart, David S.

Results: 202

Comprehensive clinical and metabolomics profiling of COVID-19 Mexican patients across three epidemiological waves.

Published in:

Frontiers in Molecular Biosciences, 2025, p. 1, doi. 10.3389/fmolb.2025.1607583

By:

García-López, David Alejandro;
Monárrez-Espino, Joel;
Borrego-Moreno, Juan Carlos;
Zheng, Jiamin;
Mandal, Rupasri;
Torres-Calzada, Claudia;
Oropeza-Valdez, Juan José;
Tenório Nunes, Alanne;
Sánchez Rodríguez, Sergio Hugo;
López, Jesús Adrián;
Calzada Rodríguez, Blanca Estela;
Wishart, David S.;
López-Hernández, Yamilé

Publication type:

Article

Towards Automated Testing of Kynurenine for Point-of-Care Metabolomics.

Published in:

Methods & Protocols, 2025, v. 8, n. 3, p. 56, doi. 10.3390/mps8030056

By:

Bhattacharyya, Dipanjan;
LeVatte, Marcia A.;
Wishart, David S.

Publication type:

Article

An improved synthesis of α-<sup>13</sup>C glycine and heteronuclear NMR studies of its incorporation into thioredoxin.

Published in:

Journal of Labelled Compounds & Radiopharmaceuticals, 1992, v. 31, n. 12, p. 1019, doi. 10.1002/jlcr.2580311209

By:

Wishart, David S.;
Sykes, Brian D.;
Richards, Frederic M.

Publication type:

Article

Gut Microenvironment and Bacterial Invasion in Paediatric Inflammatory Bowel Diseases.

Published in:

2020

By:

Zaidi, Deenaz;
Huynh, Hien Q.;
Carroll, Matthew W.;
Mandal, Rupasri;
Wishart, David S.;
Wine, Eytan

Publication type:

journal article

Candidate serum metabolite biomarkers of residual feed intake and carcass merit in sheep.

Published in:

Journal of Animal Science, 2020, v. 98, n. 10, p. 1, doi. 10.1093/jas/skaa298

By:

Goldansaz, Seyed Ali;
Markus, Susan;
Berjanskii, Mark;
Rout, Manoj;
Guo, An Chi;
Wang, Zhiquan;
Plastow, Graham;
Wishart, David S

Publication type:

Article

Identification of urinary biomarkers of colorectal cancer: Towards the development of a colorectal screening test in limited resource settings.

Published in:

Cancer Biomarkers, 2023, v. 36, n. 1, p. 17, doi. 10.3233/CBM-220034

By:

Zhang, Lun;
Zheng, Jiamin;
Ismond, Kathleen P.;
MacKay, Scott;
LeVatte, Marcia;
Constable, Jeremy;
Isaac Alatise, Olusegun;
Peter Kingham, T.;
Wishart, David S.

Publication type:

Article

Rapid and reliable protein structure determination via chemical shift threading.

Published in:

Journal of Biomolecular NMR, 2018, v. 70, n. 1, p. 33, doi. 10.1007/s10858-017-0154-1

By:

Hafsa, Noor E.;
Berjanskii, Mark V.;
Arndt, David;
Wishart, David S.

Publication type:

Article

SHIFTX2: significantly improved protein chemical shift prediction.

Published in:

Journal of Biomolecular NMR, 2011, v. 50, n. 1, p. 43, doi. 10.1007/s10858-011-9478-4

By:

Beomsoo Han;
Yifeng Liu;
Ginzinger, Simon W.;
Wishart, David S.

Publication type:

Article

Inter-Laboratory Robustness of Next- Generation Bile Acid Study in Mice and Humans: International Ring Trial Involving 12 Laboratories.

Published in:

Journal of Applied Laboratory Medicine, 2016, p. 129, doi. 10.1373/jalm.2016.020537

By:

Pham, Hai T.;
Arnhard, Kathrin;
Asad, Yasmin J.;
Lu Deng;
Felder, Thomas K.;
Williams, Lisa St. John;
Kaever, Volkhard;
Leadley, Michael;
Mitro, Nico;
Muccio, Stephane;
Prehn, Cornelia;
Rauh, Manfred;
Rolle-Kampczyk, Ulrike;
Thompson, J. Will;
Uhl, Olaf;
Ulaszewska, Maria;
Vogeser, Michael;
Wishart, David S.;
Koal, Therese

Publication type:

Article

INMEX—a web-based tool for integrative meta-analysis of expression data.

Published in:

Nucleic Acids Research, 2013, v. 41, p. W63, doi. 10.1093/nar/gkt338

By:

Xia, Jianguo;
Fjell, Christopher D.;
Mayer, Matthew L.;
Pena, Olga M.;
Wishart, David S.;
Hancock, Robert E. W.

Publication type:

Article

HMDB 3.0--The Human Metabolome Database in 2013.

Published in:

Nucleic Acids Research, 2013, v. 41, p. D801, doi. 10.1093/nar/gks1065

By:

Wishart, David S.;
Jewison, Timothy;
An Chi Guo;
Wilson, Michael;
Craig Knox;
Yifeng Liu;
Djoumbou, Yannick;
Mandal, Rupasri;
Aziat, Farid;
Edison Dong;
Bouatra, Souhaila;
Sinelnikov, Igor;
Arndt, David;
Jianguo Xia;
Philip Liu;
Yallou, Faizath;
Bjorndahl, Trent;
Perez-Pineiro, Rolando;
Eisner, Roman;
Allen, Felicity

Publication type:

Article

ECMDB: The E. coli Metabolome Database.

Published in:

Nucleic Acids Research, 2013, v. 41, p. D625, doi. 10.1093/nar/gks992

By:

An Chi Guo;
Jewison, Timothy;
Wilson, Michael;
Yifeng Liu;
Knox, Craig;
Djoumbou, Yannick;
Patrick Lo;
Mandal, Rupasri;
Krishnamurthy, Ram;
Wishart, David S.

Publication type:

Article

METAGENassist: a comprehensive web server for comparative metagenomics.

Published in:

Nucleic Acids Research, 2012, v. 40, p. W88, doi. 10.1093/nar/gks497

By:

Arndt, David;
Jianguo Xia;
Yifeng Liu;
You Zhou;
An Chi Guo;
Cruz, Joseph A.;
Sinelnikov, Igor;
Budwill, Karen;
Nesbø, Camilla L.;
Wishart, David S.

Publication type:

Article

MetaboAnalyst 2.0—a comprehensive server for metabolomic data analysis.

Published in:

Nucleic Acids Research, 2012, v. 40, p. W127, doi. 10.1093/nar/gks374

By:

Jianguo Xia;
Mandal, Rupasri;
Sinelnikov, Igor V.;
Broadhurst, David;
Wishart, David S.

Publication type:

Article

BacMap: an up-to-date electronic atlas of annotated bacterial genomes.

Published in:

Nucleic Acids Research, 2012, p. D599, doi. 10.1093/nar/gkr1105

By:

Cruz, Joseph;
Liu, Yifeng;
Liang, Yongjie;
Zhou, You;
Wilson, Michael;
Dennis, Jonathan J.;
Stothard, Paul;
Van Domselaar, Gary;
Wishart, David S.

Publication type:

Article

YMDB: the Yeast Metabolome Database.

Published in:

Nucleic Acids Research, 2012, p. D815, doi. 10.1093/nar/gkr916

By:

Jewison, Timothy;
Knox, Craig;
Neveu, Vanessa;
Djoumbou, Yannick;
Guo, An Chi;
Lee, Jacqueline;
Liu, Philip;
Mandal, Rupasri;
Krishnamurthy, Ram;
Sinelnikov, Igor;
Wilson, Michael;
Wishart, David S.

Publication type:

Article

PHAST: A Fast Phage Search Tool.

Published in:

Nucleic Acids Research, 2011, v. 39, n. suppl_2, p. W347, doi. 10.1093/nar/gkr485

By:

Zhou, You;
Liang, Yongjie;
Lynch, Karlene H.;
Dennis, Jonathan J.;
Wishart, David S.

Publication type:

Article

DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs.

Published in:

Nucleic Acids Research, 2011, v. 39, n. suppl_1, p. D1035, doi. 10.1093/nar/gkq1126

By:

Knox, Craig;
Law, Vivian;
Jewison, Timothy;
Liu, Philip;
Ly, Son;
Frolkis, Alex;
Pon, Allison;
Banco, Kelly;
Mak, Christine;
Neveu, Vanessa;
Djoumbou, Yannick;
Eisner, Roman;
Guo, An Chi;
Wishart, David S.

Publication type:

Article

PROSESS: a protein structure evaluation suite and server.

Published in:

Nucleic Acids Research, 2010, v. 38, n. suppl_2, p. W633, doi. 10.1093/nar/gkq375

By:

Berjanskii, Mark;
Liang, Yongjie;
Zhou, Jianjun;
Tang, Peter;
Stothard, Paul;
Zhou, You;
Cruz, Joseph;
MacDonell, Cam;
Lin, Guohui;
Lu, Paul;
Wishart, David S.

Publication type:

Article

MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data.

Published in:

Nucleic Acids Research, 2010, v. 38, n. suppl_2, p. W71, doi. 10.1093/nar/gkq329

By:

Xia, Jianguo;
Wishart, David S.

Publication type:

Article

SMPDB: The Small Molecule Pathway Database.

Published in:

Nucleic Acids Research, 2010, v. 38, p. D480, doi. 10.1093/nar/gkp1002

By:

Frolkis, Alex;
Knox, Craig;
Lim, Emilia;
Jewison, Timothy;
Law, Vivian;
Hau, David D.;
Liu, Phillip;
Gautam, Bijaya;
Son Ly;
An Chi Guo;
Jianguo Xia;
Yongjie Liang;
Shrivastava, Savita;
Wishart, David S.

Publication type:

Article

T3DB: a comprehensively annotated database of common toxins and their targets.

Published in:

Nucleic Acids Research, 2010, v. 38, p. D781, doi. 10.1093/nar/gkp934

By:

Lim, Emilia;
Pon, Allison;
Djoumbou, Yannick;
Knox, Craig;
Shrivastava, Savita;
An Chi Guo;
Neveu, Vanessa;
Wishart, David S.

Publication type:

Article

MetaboAnalyst: a web server for metabolomic data analysis and interpretation.

Published in:

Nucleic Acids Research, 2009, v. 37, n. suppl_2, p. W652, doi. 10.1093/nar/gkp356

By:

Xia, Jianguo;
Psychogios, Nick;
Young, Nelson;
Wishart, David S.

Publication type:

Article

GeNMR: a web server for rapid NMR-based protein structure determination.

Published in:

Nucleic Acids Research, 2009, v. 37, n. suppl_2, p. W670, doi. 10.1093/nar/gkp280

By:

Berjanskii, Mark;
Tang, Peter;
Liang, Jack;
Cruz, Joseph A.;
Zhou, Jianjun;
Zhou, You;
Bassett, Edward;
MacDonell, Cam;
Lu, Paul;
Lin, Guohui;
Wishart, David S.

Publication type:

Article

HMDB: a knowledgebase for the human metabolome.

Published in:

Nucleic Acids Research, 2009, v. 37, n. suppl_1, p. D603, doi. 10.1093/nar/gkn810

By:

Wishart, David S.;
Knox, Craig;
Guo, An Chi;
Eisner, Roman;
Young, Nelson;
Gautam, Bijaya;
Hau, David D.;
Psychogios, Nick;
Dong, Edison;
Bouatra, Souhaila;
Mandal, Rupasri;
Sinelnikov, Igor;
Xia, Jianguo;
Jia, Leslie;
Cruz, Joseph A.;
Lim, Emilia;
Sobsey, Constance A.;
Shrivastava, Savita;
Huang, Paul;
Liu, Philip

Publication type:

Article

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data.

Published in:

Nucleic Acids Research, 2008, v. 36, n. suppl_2, p. W496, doi. 10.1093/nar/gkn305

By:

Wishart, David S.;
Arndt, David;
Berjanskii, Mark;
Tang, Peter;
Zhou, Jianjun;
Lin, Guohui

Publication type:

Article

PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites.

Published in:

Nucleic Acids Research, 2008, v. 36, n. suppl_2, p. W399, doi. 10.1093/nar/gkn296

By:

Cheng, Dean;
Knox, Craig;
Young, Nelson;
Stothard, Paul;
Damaraju, Sambasivarao;
Wishart, David S.

Publication type:

Article

PROTEUS2: a web server for comprehensive protein structure prediction and structure-based annotation.

Published in:

Nucleic Acids Research, 2008, v. 36, n. suppl_2, p. W202, doi. 10.1093/nar/gkn255

By:

Montgomerie, Scott;
Cruz, Joseph A.;
Shrivastava, Savita;
Arndt, David;
Berjanskii, Mark;
Wishart, David S.

Publication type:

Article

PPT-DB: the protein property prediction and testing database.

Published in:

Nucleic Acids Research, 2008, v. 36, p. D222

By:

Wishart, David S.;
Arndt, David;
Berjanskii, Mark;
Guo, An Chi;
Shi, Yi;
Shrivastava, Savita;
Zhou, Jianjun;
Zhou, You;
Lin, Guohui

Publication type:

Article

DrugBank: a knowledgebase for drugs, drug actions and drug targets.

Published in:

Nucleic Acids Research, 2008, v. 36, p. D901, doi. 10.1093/nar/gkm958

By:

Wishart, David S.;
Knox, Craig;
Guo, An Chi;
Cheng, Dean;
Shrivastava, Savita;
Tzur, Dan;
Gautam, Bijaya;
Hassanali, Murtaza

Publication type:

Article

The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts.

Published in:

Nucleic Acids Research, 2007, v. 35, n. suppl_2, p. W531, doi. 10.1093/nar/gkm328

By:

Berjanskii, Mark V.;
Wishart, David S.

Publication type:

Article

HMDB: the Human Metabolome Database.

Published in:

Nucleic Acids Research, 2007, v. 35, p. d521, doi. 10.1093/nar/gkl923

By:

Wishart, David S.;
Tzur, Dan;
Knox, Craig;
Eisner, Roman;
Guo, An Chi;
Young, Nelson;
Cheng, Dean;
Jewell, Kevin;
Arndt, David;
Sawhney, Summit;
Fung, Chris;
Nikolai, Lisa;
Lewis, Mike;
Coutouly, Marie-Aude;
Forsythe, Ian;
Tang, Peter;
Shrivastava, Savita;
Jeroncic, Kevin;
Stothard, Paul;
Amegbey, Godwin

Publication type:

Article

PREDITOR: a web server for predicting protein torsion angle restraints.

Published in:

Nucleic Acids Research, 2006, v. 34, n. 11, p. w63, doi. 10.1093/nar/gkl341

By:

Berjanskii, Mark V.;
Neal, Stephen;
Wishart, David S.

Publication type:

Article

DrugBank: a comprehensive resource for in silico drug discovery and exploration.

Published in:

Nucleic Acids Research, 2006, v. 34, n. suppl 1, p. d668, doi. 10.1093/nar/gkj067

By:

Wishart, David S.;
Knox, Craig;
Guo, An Chi;
Shrivastava, Savita;
Hassanali, Murtaza;
Stothard, Paul;
Chang, Zhan;
Woolsey, Jennifer

Publication type:

Article

BASys: a web server for automated bacterial genome annotation.

Published in:

Nucleic Acids Research, 2005, v. 33, n. suppl 2, p. w455, doi. 10.1093/nar/gki593

By:

Van Domselaar, Gary H.;
Stothard, Paul;
Shrivastava, Savita;
Cruz, Joseph A.;
Guo, AnChi;
Dong, Xiaoli;
Lu, Paul;
Szafron, Duane;
Greiner, Russ;
Wishart, David S.

Publication type:

Article

MovieMaker: a web server for rapid rendering of protein motions and interactions.

Published in:

Nucleic Acids Research, 2005, v. 33, n. suppl 2, p. w358, doi. 10.1093/nar/gki485

By:

Maiti, Rajarshi;
Van Domselaar, Gary H.;
Wishart, David S.

Publication type:

Article

PA-GOSUB: a searchable database of model organism protein sequences with their predicted Gene Ontology molecular function and subcellular localization.

Published in:

Nucleic Acids Research, 2005, v. 33, n. suppl 1, p. d147

By:

Lu, Paul;
Szafron, Duane;
Greiner, Russell;
Wishart, David S.;
Fyshe, Alona;
Pearcy, Brandon;
Poulin, Brett;
Eisner, Roman;
Ngo, Danny;
Lamb, Nicholas

Publication type:

Article

BacMap: an interactive picture atlas of annotated bacterial genomes.

Published in:

Nucleic Acids Research, 2005, v. 33, n. suppl 1, p. d317

By:

Stothard, Paul;
Van Domselaar, Gary;
Shrivastava, Savita;
Guo, Anchi;
O'Neill, Brian;
Cruz, Joseph;
Ellison, Michael;
Wishart, David S.

Publication type:

Article

Proteome Analyst: custom predictions with explanations in a web-based tool for high-throughput proteome annotations.

Published in:

Nucleic Acids Research, 2004, v. 32, n. suppl 2, p. w365, doi. 10.1093/nar/gkh485

By:

Szafron, Duane;
Lu, Paul;
Greiner, Russell;
Wishart, David S.;
Poulin, Brett;
Eisner, Roman;
Lu, Zhiyong;
Anvik, John;
Macdonell, Cam;
Fyshe, Alona;
Meeuwis, David

Publication type:

Article

SuperPose: a simple server for sophisticated structural superposition.

Published in:

Nucleic Acids Research, 2004, v. 32, n. suppl 2, p. w590, doi. 10.1093/nar/gkh477

By:

Maiti, Rajarshi;
Van Domselaar, Gary H.;
Zhang, Haiyan;
Wishart, David S.

Publication type:

Article

PlasMapper: a web server for drawing and auto-annotating plasmid maps.

Published in:

Nucleic Acids Research, 2004, v. 32, n. suppl 2, p. w660, doi. 10.1093/nar/gkh410

By:

Dong, Xiaoli;
Stothard, Paul;
Forsythe, Ian J.;
Wishart, David S.

Publication type:

Article

The CyberCell Database (CCDB): a comprehensive, self‐updating, relational database to coordinate and facilitate in silico modeling of Escherichia coli.

Published in:

Nucleic Acids Research, 2004, v. 32, n. suppl 1, p. d293

By:

Sundararaj, Shan;
Guo, Anchi;
Habibi‐Nazhad, Bahram;
Rouani, Melania;
Stothard, Paul;
Ellison, Michael;
Wishart, David S.

Publication type:

Article

VADAR: a web server for quantitative evaluation of protein structure quality.

Published in:

Nucleic Acids Research, 2003, v. 31, n. 13, p. 3316, doi. 10.1093/nar/gkg565

By:

Willard, Leigh;
Ranjan, Anuj;
Zhang, Haiyan;
Monzavi, Hassan;
Boyko, Robert F.;
Sykes, Brian D.;
Wishart, David S.

Publication type:

Article

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5225, doi. 10.1007/s00894-013-1979-5

By:

Pagadala, Nataraj S.;
Bjorndahl, Trent C.;
Blinov, Nikolay;
Kovalenko, Andriy;
Wishart, David S.

Publication type:

Article

Mechanisms of Homoarginine: Looking Beyond Clinical Outcomes.

Published in:

Acta Physiologica, 2025, v. 241, n. 2, p. 1, doi. 10.1111/apha.14273

By:

Zubkowski, Ashley;
Sferruzzi‐Perri, Amanda N.;
Wishart, David S.

Publication type:

Article

The prion protein binds thiamine.

Published in:

FEBS Journal, 2011, v. 278, n. 21, p. 4002, doi. 10.1111/j.1742-4658.2011.08304.x

By:

Perez-Pineiro, Rolando;
Bjorndahl, Trent C.;
Berjanskii, Mark V.;
Hau, David;
Li, Li;
Huang, Alan;
Lee, Rose;
Gibbs, Ebrima;
Ladner, Carol;
Dong, Ying Wei;
Abera, Ashenafi;
Cashman, Neil R.;
Wishart, David S.

Publication type:

Article

Metabolomic determination of pathogenesis of late-onset preeclampsia.

Published in:

2017

By:

Bahado-Singh, Ray O.;
Syngelaki, Argyro;
Mandal, Rupsari;
Graham, Stewart F.;
Akolekar, Ranjit;
Han, Beomsoo;
Bjondahl, Trent C.;
Dong, Edison;
Bauer, Samuel;
Alpay-Savasan, Zeynep;
Turkoglu, Onur;
Ogunyemi, Dotun;
Poon, Liona C.;
Wishart, David S.;
Nicolaides, Kypros H.

Publication type:

journal article

Metabolomics and first-trimester prediction of early-onset preeclampsia.

Published in:

Journal of Maternal-Fetal & Neonatal Medicine, 2012, v. 25, n. 10, p. 1840, doi. 10.3109/14767058.2012.680254

By:

Bahado-Singh, Ray O.;
Akolekar, Ranjit;
Mandal, Rupasri;
Dong, Edison;
Xia, Jianguo;
Kruger, Michael;
Wishart, David S.;
Nicolaides, Kypros

Publication type:

Article

Circular genome visualization and exploration using CGView.

Published in:

Bioinformatics, 2005, v. 21, n. 4, p. 537, doi. 10.1093/bioinformatics/bti054

By:

Stothard, Paul;
Wishart, David S.

Publication type:

Article

GelScape: a web-based server for interactively annotating, manipulating, comparing and archiving 1D and 2D gel images.

Published in:

Bioinformatics, 2004, v. 20, n. 6, p. 976, doi. 10.1093/bioinformatics/bth033

By:

Nelson Young;
Zhan Chang;
David S. Wishart

Publication type:

Article