Molecular dynamics and umbrella sampling were employed to investigate the translocation of siRNA–NAPA oligomer complexes across a POPC membrane, revealing a high energy barrier (63–95 kcal/mol) accompanied by significant membrane deformation, underscoring the need for improved carrier design in siRNA therapeutics.
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D. D. Yadav, D. Bhandary and P. Paik, Phys. Chem. Chem. Phys., 2026, Accepted Manuscript , DOI: 10.1039/D6CP00760K
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