Generative AI pipeline creates promising antimicrobial peptides

All-atom molecular dynamics simulation of peptide-membrane systems

Source: © 2025 Wenqiang Chang et al

AI model extrapolates beyond training data to predict diverse antimicrobial structures

A new generative AI model rapidly generates diverse antimicrobial peptide structures for screening against treatment-resistant microbes. Subsequent in vivo studies identified two promising lead candidates for further clinical development and the team behind the work believe this approach could accelerate drug discovery in both peptides and small molecules.