William H. Gerwick

The paper identifies three new cyclic depsipeptides from a marine cyanobacterium using AI tools and metabolomics, showing their antiplasmodial activity and structural diversity.

This paper develops a recombinant Pf20S platform for structural analysis and inhibitor design, identifying a selective inhibitor with high potency against Plasmodium falciparum proteasome.

The paper characterizes the structure of a putative terminal amidation domain in natural product biosynthesis and identifies its potential catalytic role.

This paper introduces KINACT, a light-gated tool that converts kinase activity into permanent fluorescent marks for analyzing kinase dynamics and signaling mechanisms.

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.

This study uses native metabolomics to identify a family of protease inhibitors from cyanobacteria, revealing their structure and potent biological activity.

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.

The paper evaluates gallinamide A and its analogs against Trypanosoma cruzi, finding that intramolecular π-π stacking interactions enhance potency by improving solubility and permeability.

The paper identifies genetic determinants of chemical resistance in yeast using in vitro evolution and whole genome sequencing, revealing key transcription factors involved in drug resistance.

CANOPUS is a tool that predicts compound classes from fragmentation spectra, enabling annotation of unknown compounds without reference data.

This paper develops genetic tools for heterologous expression of biosynthetic gene clusters in cyanobacteria, enabling high-titer production of cryptomaldamide in Anabaena.

MetaRiPPquest identifies RiPPs by combining genome/metagenome mining with mass spectrometry analysis, discovering 5 novel natural products from 6 datasets.