Structural behavior of amphiphilic polyion complexes interacting with saturated lipid membranes investigated by coarse-grained molecular dynamic simulations

Abstract

Neutral polyelectrolyte complexes (PECs) made from an amphiphilic multiblock copolymer of type (AnBn)m and an oppositely charged polyion and interacting with a dipalmitoylphosphatidylcholine (DPPC) lipid membrane.

Interaction of Macromolecular Chain with Phospholipid Membranes in Solutions: A Dissipative Particle Dynamics Simulation Study

“…This suggests that phospholipid membranes suffer remarkable damage under strong pulling forces when the adsorption between the polymer and membrane is also strong. Bead numbers have also been used to investigate other polymer features where the coarse-grained and all-atom molecular dynamics simulations were employed [25,31,34]. In this case, we used them to describe the membrane's response caused by the pulling forces applied to the linear polymer chains.…”

“…Various computer simulations have been conducted employing all-atom or coarsegrained (CG) models to gain a better understanding of experimental results regarding the interaction of macromolecules with phospholipid membranes. These simulations encompassed a range of polymers, including biomacromolecules and block copolymers [3,[25][26][27][28][29][30][31][32][33][34][35]. For example, Beldowski et al used all-atom molecular dynamics simulations to investigate the interactions between hyaluronan acid and dipalmitoylphosphatidylcholine membranes [31].…”