Self-assembly of artificial microtubules

摘要: Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example biopolymer that possesses characteristics quite distinct from standard synthetic polymers derived its hierarchical structure. In order to understand how design and build artificial possess features similar those microtubules, we have initially studied model monomers into tubule geometry. Our monomer has wedge shape with lateral vertical binding sites designed form tubules. We used molecular dynamics simulations study assembly process for range site interaction strengths. addition determining optimal regime obtaining tubules, calculated diagram structures over wide Unexpectedly, find helical tubules form, even though geometry nonhelical present detailed show strengths must be in limited allow rearrangement within clusters. extended previous theoretical methods treat our system calculate boundaries between different diagram.