Kairi Furui

ALLM-Ab uses fine-tuned protein language models and active learning to optimize antibody sequences for both high binding affinity and developability.

The paper improves structure-based virtual screening by modifying AlphaFold2-predicted protein structures to better capture ligand-induced conformations, enhancing screening accuracy.

This study benchmarks HelixFold3's ability to predict holo structures for free energy perturbation calculations, showing improved performance over AlphaFold2 and existing methods.