Small siRNA-loaded LNP, constant pH MD at pH 4 (solute only)

All-atom constant pH MD (CpHMD, lambda dynamics) of the small self-assembled HER2-siRNA lipid nanoparticle backmapped from coarse-grained, at pH 4. All 300 MC3 lipids are titratable. Trajectories without solvent. Two replicas. Related to Figure 2 and Figs. S8-S11 of the paper.

Program

GROMACS 2021

Force field