Mechanism-Guided Antimicrobial Peptide Design through Membrane-Surface Fingerprinting and Graph Diffusion
Membrane-MaSIF, an MD-derived membrane surface matching model designed to capture peptide–membrane compatibility beyond sequence-level AMP labels, is developed and provides a mechanism-aware strategy for Gram-negative AMP discovery and optimization.
Zhen-Yu Ma, Si-Xin Tian, Meng-Meng Sheng et al.
· Journal of Chemical Informat... · 0 citations