Multiscale Topology for Protein–Ligand Binding

Predicting Protein–Ligand Interactions with Multiscale Topology

This study presents a novel transformer model, leveraging multiscale topology to predict protein-ligand interactions. The model integrates structural and sequential data, improving accuracy in binding affinity predictions. By utilizing topological features at multiple scales, it captures complex molecular interactions effectively. The approach demonstrates superior performance over traditional methods, highlighting its potential for drug discovery and molecular biology research.