Paulo Wender Portal Gomes

This study identifies distinct microbial and metabolic features in non-lesional acne skin using multi-omics analyses, showing molecular dysbiosis extends beyond visible lesions.

This paper introduces molecular community networking to organize metabolite data, revealing hidden connections and discovering novel dipeptide-conjugated bile acids.

The paper introduces a collaborative platform for curating microbial metabolite knowledge to enhance metabolomics data interpretation.

The paper uses synthetic multiplexing to annotate uncharacterized metabolites, identifying ibuprofen-carnitine as a metabolite linked to muscle toxicity.

The paper uses a colon simulator to study microbial lipid shifts in the gut and validates findings using human samples.

The paper creates a spectral library of N-acyl lipids from metabolomics data, identifies novel compounds, and links them to health conditions like HIV and cognitive impairment.

The paper develops a drug exposure resource from untargeted metabolomics data to identify medications without clinical records.

The paper curates LC-MS/MS data from plant extracts to create a taxonomically focused database for exploring plant-derived molecules.

The paper creates a suspect spectral library for untargeted metabolomics by propagating annotations from public MS/MS spectra to improve interpretation of unannotated spectra.

NPOmix connects mass spectrometry fragmentation data to biosynthetic gene clusters using a k-nearest neighbor classifier, improving metabolite discovery and structure prediction.

MassQL, an open-source query language, lets users search raw mass spectrometry data from any vendor for isotope, fragmentation and neutral-loss patterns, from one file to entire public repositories.