Atomistic LNP-endosomal membrane stalk with HER2 siRNA

All-atom simulation of a MC3-based lipid nanoparticle (LNP) carrying a HER2 siRNA, fused with a model endosomal membrane at the stalk stage. The system was backmapped from the coarse-grained stalk state with CG2AT, in water with 100 mM KCl. The trajectory is saved with a 20 ns stride and includes the solvent. Data related to the manuscript 'When lipids embrace RNA: pH-driven dynamics and mechanisms of LNP-mediated siRNA delivery' (Fig. 3).

Program

GROMACS