Open access
Sep 2026
Molecular docking versus co-folding for protein–peptide pose prediction: effects of protein flexibility and training set overlap
Synthetic peptides are increasingly important as therapeutic and diagnostic agents due to their high specificity, ease in synthesis, and suitability for targeting protein interfaces. However, accurate prediction of peptide binding poses remains a major challenge, particularly for conformationally flexible protein targe...
Mark Fonteyne, Nada Badr, P. Kuppen et al.
· Digital Discovery · 0 citations