T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction With Uncertainty-Aware Self-Learning for Protein-Specific Alignment
Gregory W. Kyro, Anthony M. Smaldone, Yu Shee, Chuzhi Xu, Víctor S. Batista
T-ALPHA predicts protein-ligand binding affinity using a hierarchical transformer model and uncertainty-aware self-learning, outperforming existing methods and working with predicted structures.
Journal of Chemical Information and Modeling · Feb 18, 2025Peer-reviewedBioinformatics