论文标题
通过在三维主机中拥挤来控制超选择性
Control of superselectivity by crowding in three-dimensional hosts
论文作者
论文摘要
由细胞中的无膜液滴细胞器中观察到的精细组成控制动机，我们研究了如何在多孔三维结构中嵌入的多价客户分子和受体之间发生急剧的结合无关。与先前在表面上观察到的类似的超级选择性结合相反，我们已经确定在三维环境中的关键效果是，惰性拥挤剂的存在可以显着增强甚至引入超选择性。从本质上讲，分子拥挤最初会通过熵惩罚抑制约束，但是客户可以更容易同时形成许多纽带。我们证明了相对于客户价，接头长度和与原型晶格聚合物模型的蒙特卡洛模拟中的链接相互作用以及结合相互作用的鲁棒性。
Motivated by the fine compositional control observed in membraneless droplet organelles in cells, we investigate how a sharp binding-unbinding transition can occur between multivalent client molecules and receptors embedded in a porous three-dimensional structure. In contrast to similar superselective binding previously observed at surfaces, we have identified that a key effect in a three-dimensional environment is that the presence of inert crowding agents can significantly enhance or even introduce superselectivity. In essence, molecular crowding initially suppresses binding via an entropic penalty, but the clients can then more easily form many bonds simultaneously. We demonstrate the robustness of the superselective behavior with respect to client valency, linker length and binding interactions in Monte Carlo simulations of an archetypal lattice polymer model.
