Zero-Shot Protein-Ligand Binding Site Prediction from Protein Sequence and SMILES
Mahdi Pourmirzaei, Salhuldin Alqarghuli, Kai Chen, Mohammadreza Pourmirzaei, Dong He Xu
This paper benchmarks sequence-based models for predicting protein-ligand binding sites across different ligand availability regimes, showing improved performance with ligand conditioning and chemical language model integration.
bioRxiv · Sep 28, 2025 · PreprintBioinformatics