论文标题
蛋白质t模型中的表面活性
Surfactancy in a tadpole model of proteins
论文作者
论文摘要
我们通过仅通过大分子的熵特性来代表真核核的环境,并用球形胶体代表的球体分子和聚合物柔性分子。我们特别关注具有球状和本质上无序区域的蛋白质,我们用将单个聚合物和胶体一起构建的“ t骨”代表。在蒙特卡洛模拟中,我们发现这些t骨通过耗竭造成的支持相分离,并证明了几种表面活性剂行为,包括在接口处优先发现并在单相溶液中形成胶束。此外,可以对模型参数进行调整以使t的偏好对任何一个体积相位。但是,我们发现熵太弱,无法在可能的生物学浓度下自行驱动这些行为。
We model the environment of eukaryotic nuclei by representing macromolecules by only their entropic properties, with globular molecules represented by spherical colloids and flexible molecules by polymers. We put particular focus on proteins with both globular and intrinsically disordered regions, which we represent with `tadpole' constructed by grafting single polymers and colloids together. In Monte Carlo simulations we find these tadpoles support phase separation via depletion flocculation, and demonstrate several surfactant behaviours, including being found preferentially at interfaces and forming micelles in single phase solution. Furthermore, the model parameters can be tuned to give a tadpole a preference for either bulk phase. However, we find entropy too weak to drive these behaviours by itself at likely biological concentrations.