Antimicrobial peptide development!
Integrating multiple computational methods can streamline AMP discovery, optimization, and delivery system design, reducing their time and cost.
The combination of artificial intelligence (AI) with metagenomic data accelerates the identification of novel AMPs with unique antimicrobial properties.
The combination of AI, molecular docking, and molecular dynamics (MD) simulations can improve the biocompatibility and targeting of AMPs from macro to micro levels.
The integration of AI and MD simulations transforms AMP delivery design from knowledge-based to data-driven approaches.
The collaboration of academia and industry is expected to pave the way to unleash the power of integrated computational strategies.
https://www.cell.com/trends/pharmacological-sciences/abstract/S0165-6147(24)00210-4
