Predicting Antibody Self-Association with Sequence Structure Fusion Models: The Central Role of CSI-BLI in Early Developability Screening
This study presents an end-to-end deep learning framework that fuses fine-tuned protein language models with AlphaFold-derived 3D structural graphs to accurately predict antibody self-association (measured by CSI-BLI), demonstrating that integrating sequence and spatial context significantly outperforms sequence-only baselines and provides interpretable insights into key developability drivers like charge and hydrophobicity.