BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
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…·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.
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