Empty LNP (without siRNA), all-atom equilibration MD
Kazi Amirul Hossain,Mariana Valério,Pedro Medina,Paulo C. T. Souza,Modesto Orozco
Created 20 Oct 2026Updated 20 Oct 2026
MD-A00C7B
Description
All-atom MD of an empty lipid nanoparticle (no siRNA cargo): 300 protonated MC3, 228 cholesterol, 60 DSPC and 12 PEG-lipid DPG2 in water with KCl. It was backmapped from coarse-grained with CG2AT. Trajectories without solvent. Four replicas. Related to the study of empty LNPs (Figs. S12-S14).
Molecular system
- Program
- GROMACS
- Force field