Vanessa Y. Ying

Small molecule structure elucidation from NMR spectra with generative and reasoning models

This paper introduces an AI system for automated small molecule structure elucidation from NMR spectra, combining generative models with reasoning agents to outperform existing tools.

Non-Canonical Cytochrome P450 Enzymes in Nature

The paper identifies and characterizes non-canonical CYPs lacking the conserved cysteine ligand, revealing new ligands like serine and selenocysteine in microbial genomes.

Caenorhabditis elegans avoids Todstoff, a novel nociceptive necrotaxis cue

This study identifies Todstoff, a novel aversive cue in C. elegans that induces necrotaxis behaviors by signaling through ASH neurons and GPCR pathways.

Discovery of a Human Metabolite that Mimics the Bacterial Quorum-Sensing Autoinducer AI-2

This study identifies L-xylosone as a human metabolite that mimics the bacterial quorum-sensing autoinducer AI-2, revealing a new host-microbe interaction.

Ovoselenol, a Selenium-containing AnOoxidant Derived from Convergent Evolution

The paper identifies a novel selenium-containing antioxidant, ovoselenol, through bioinformatic and biochemical studies of a newly evolved enzyme class involved in selenometabolite biosynthesis.