Key Roles for Chain Flexibility in Block Copolymer Membranes that Contain Pores or Make Tubes

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Abstract
Block copolymer amphiphiles that self-assemble into membranes present robust and functionalizable alternatives to biological assemblies. Coarse-grained molecular dynamics shows that thick bilayers of A−B copolymers accommodate protein-like channels and also tend to regulate transport. This occurs as flexible, hydrophilic A chains insert into the pore and obstruct water entry. A−B−A triblocks that exploit “hairpin” and “straight” conformations also show assembly into novel nanotubules and further highlight the key roles for chain flexibility in biomimetic block copolymer assemblies.