Speaker
Prof.
Birgit Strodel
(FZ Jülich)
Description
This work explores digital twins for innate immunity, focusing on human guanylate-binding protein 1 (hGBP1) and its role in targeting intracellular pathogens. Using coarse-grained molecular dynamics simulations, we examine protein-membrane interfaces with realistic pathogen membranes. We find that hGBP1 interacts with various membrane types; negatively charged lipids enhance affinity, while lipopolysaccharides are crucial for effective interactions. Additionally, hGBP1 polymerization is essential for stable membrane binding required for pathogen clearance.