Yinjun Jia

GalaxyVS: Exploring 100-Billion Compounds in Seconds

GalaxyVS rapidly screens 100 billion compounds against protein structures, achieving high throughput and releasing a cross-species interaction database.

Atom-level generative foundation model for molecular interaction with pockets

This paper introduces PocketXMol, a generative foundation model for molecular interactions with protein pockets, achieving state-of-the-art performance in 11 tasks and demonstrating success in designing inhibitors and peptides.

Deep contrastive learning enables genome-wide virtual screening

DrugCLIP, a contrastive dense-retrieval model for pockets and molecules, beats docking on DUD-E and LIT-PCBA and screened about 10,000 human AlphaFold2 proteins in 24 hours.

How Good is AlphaFold3 at Ranking Drug Binding Affinities?

This study evaluates AlphaFold3-derived models for drug binding affinity ranking, showing they outperform existing methods and require fewer resources.

Selfee: Self-supervised Features Extraction of animal behaviors

Selfee extracts comprehensive and discriminative features from raw animal behavior videos using self-supervised learning, enabling anomaly detection and temporal analysis.

Molecular Mechanisms for Frequency Specificity in a Drosophila Hearing Organ

The paper identifies molecular mechanisms for frequency specificity in Drosophila hearing by showing Brv1 and Pzl in lch5 neurons mediate specific frequency ranges, with Piezo2 function conserved across species.