Research

My research develops computational frameworks that connect molecular structure, chemical transformation, biomolecular recognition, and predictive modeling across chemistry and biology.

Direction 1

Reaction informatics

Reaction curation, graph-based transformation models, rule extraction, benchmark construction, and mechanism-aware representations.

Platform focus: Syn

Direction 2

Drug discovery

QSAR, molecular docking, chemistry-aware graph learning, and predictive modeling for small-molecule discovery workflows.

Platform focus: Pro

Direction 3

Biomolecular modeling

Peptide--protein interaction analysis, confidence-aware scoring, structural post-processing, and computational peptide design.

Platform focus: Pep

Across these directions, a recurring theme is the development of interpretable models, reliable datasets, and reusable software that support both methodological research and biologically relevant applications.