Chaok Seok

PrOMet: Accurate and Robust Metal‐Binding Site and Type Prediction

ABSTRACT Metal binding to proteins is crucial for many biological functions, yet the prediction of metal‐binding sites and metal types remains underexplored compared to other biomolecular interactions. Despite advances in deep learning, computational methods have achieved limited...

G-screen: scalable protein-aware virtual screening through flexible ligand alignment

Virtual screening has long been a central computational tool for rational ligand discovery, enabling the systematic prioritization of candidate molecules from large chemical libraries. Although docking and related approaches that explicitly account for protein–ligand interactions...