David S. Wishart

TL;DR: A large number of published studies on NMR-based urine metabolic profiling are reviewed with the aim of identifying key variables that may affect the results of metabolomics studies and providing some recommendations for urine collection, sample preparation and data acquisition.

TL;DR: It is shown that multiple SNP sites from different genes over distant parts of the genome are better at identifying breast cancer patients than any one SNP alone.

TL;DR: A web server, called PREDITOR, which greatly accelerates and simplifies the determination of torsion angle restraints including phi, psi, omega and chi angles and is 35 times faster and up to 20% more accurate than any existing method.

TL;DR: It is shown that it is possible to modulate structure and activities of cyclic gramicidin S analogs by varying ring sizes and further show the potential for developing clinically useful antibiotics based on gramicIDin S.

TL;DR: This work has developed a web-based metabolite identification tool that allows searching and interpreting mass spectrometry (MS) data against a newly constructed metabolome library composed of 8,021 known human endogenous metabolites and their predicted metabolic products and it is shown that the evidence-based metabolites library (EML) provides a much superior performance in identifying putative metabolites from a human urine sample, compared to the use of the ChemPub and KEGG libraries.