George S. Jones

The paper fine-tunes AlphaFold using high-resolution MHC-peptide crystal structures to improve prediction accuracy for MHC-peptide complex structures, outperforming existing methods in RMSD and lDDT scores.

Splitting AlphaFold2 complex models, re-docking with ClusPro, AlphaFold2 refinement and predicted-aligned-error ranking raised successful docking-benchmark targets from 88 (five AlphaFold2 models) to 123 (top 10) of 204.