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...
Zhen-Yu Ma, Si-Xin Tian, Meng-Meng Sheng et al.
· Journal of Chemical Informat... · 0 citations