David Wishart

发表

Minimum information about a bioactive entity (MIABE)

Peter Murray-Rust, John P. Overington, Henning Hermjakob, 2011, Nature Reviews Drug Discovery.

Systems Biology and Multi-Omics Integration: Viewpoints from the Metabolomics Research Community

David Wishart, David J Beale, Farhana R Pinu, 2019, Metabolites.

Invited keynote - 50th Anniversary resume, outlook and discussion: Classification society and data science

Hans-Hermann Bock, Maurizio Vichi, Peter A. Flach, 2014 .

3D-RISM-Dock: A New Fragment-Based Drug Design Protocol.

Andriy Kovalenko, David Wishart, Dragan D. Nikolic, 2012, Journal of chemical theory and computation.

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies.

Pieter Giesbertz, Samantha Riccadonna, Estelle Pujos-Guillot, 2018, Molecular nutrition & food research.

Exome Sequencing and the Management of Neurometabolic Disorders.

Andrea Superti-Furga, Rupasri Mandal, Wyeth W Wasserman, 2016, The New England journal of medicine.

Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation.

Andriy Kovalenko, Vijay S Pande, David Wishart, 2011, The journal of physical chemistry. B.

Association thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralization.

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2010, Biophysical journal.

Identification of bacteria using tandem mass spectrometry combined with a proteome database and statistical scoring.

David Wishart, Rui Chen, Liang Li, 2004, Analytical chemistry.

Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

Oliver Fiehn, Thomas Hankemeier, Estelle Pujos-Guillot, 2009, Metabolomics.

The Blood Exposome and Its Role in Discovering Causes of Disease

Paolo Vineis, David Wishart, Dinesh K. Barupal, 2014, Environmental health perspectives.

NMR spectroscopy and protein structure determination: applications to drug discovery and development.

David Wishart, D. Wishart, 2005, Current pharmaceutical biotechnology.

3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2010 .

Escherichia coli K-12: a cooperatively developed annotation snapshot—2005

Monica Riley, Martha B. Arnaud, Jeremy D. Glasner, 2006, Nucleic acids research.

Hydration effects on the HET-s prion and amyloid-beta fibrillous aggregates, studied with three-dimensional molecular theory of solvation.

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2008, Biophysical journal.

Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy

Jos Oomens, David Wishart, Ron A Wevers, 2018, Journal of Inherited Metabolic Disease.