A Mechanism-Aware Dual Attention Deep Model for Molecular-Protein Binding Affinity Prediction with Enhanced Generalizability and Interpretability
Richard Brown, Daniel Thompson
This paper introduces BindMecNet, a deep learning model for molecular-protein binding affinity prediction that improves generalizability and interpretability through explicit mechanistic modeling.
bioRxiv · Dec 29, 2025 · PreprintBioinformatics