Si-Xin Tian

Mechanism-Guided Antimicrobial Peptide Design through Membrane-Surface Fingerprinting and Graph Diffusion

Antimicrobial peptides (AMPs) are promising antibiotic alternatives, but current AI-based discovery often relies on sequence labels and lacks explicit modeling of peptide–membrane interactions. We developed Membrane-MaSIF, an MD-derived membrane surface matching model designed to capture peptide–membrane compatibilit...