Gang Hu

SMILES-Based Deep Learning Enables Discovery of Chemically Modified Ultrashort Antimicrobial Peptides

Sequence-based models for antimicrobial peptides are limited in representing chemically modified peptides, restricting computational discovery to canonical amino acids. Here, we developed SMAMP, a SMILES-based graph deep learning framework that encodes peptides as molecular graphs and captures noncanonical residues a...