Harnessing antimicrobial peptide-functionalized nanoparticles: a perspective on experimental and computational...

Antimicrobial peptides (AMPs) and nanoparticles (NPs) are at the forefront of novel strategies against antimicrobial resistance (AMR). The focus of this perspective is a conjugated system: AMP-NPs, which can be used to enhance the stability and targeting of antimicrobial activity. This perspective highlights the emerging role of molecular dynamics (MD) simulations as a key tool for designing and optimizing these hybrid systems. By integrating experimental findings with MD-driven insights, researchers can accelerate the development of next-generation antimicrobial platforms that are both effective and scalable. This convergence of nanotechnology and computational modelling offers a promising path toward overcoming the AMR crisis.