Hydrodynamic Selection of the Kinetic Pathway of a Polymer Coil-Globule Transition
Hydrodynamic Selection of the Kinetic Pathway of a Polymer Coil-Globule Transition
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DOI：
10.1103/physrevlett.102.108303
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发表时间：
2009-03-13
影响因子：
8.6
通讯作者：
Tanaka, Hajime
中科院分区：
文献类型：
--
作者：
Kamata, Kumiko;Araki, Takeaki;Tanaka, Hajime
最近，流体动力学相互作用在选择相变动力学途径中的作用引起了人们的极大关注。在这里，我们研究这个问题的数值作为一个例子，一个单一的聚合物，这是一个原型模型的蛋白质折叠的螺旋球转变。当溶胀的聚合物坍缩成球状状态时，流体动力学相互作用加速了这种转变。我们发现，另一方面，当一个相当紧凑的聚合物崩溃到相同的最终状态，流体动力学相互作用减速的过渡，由于缓慢的挤压过程中的溶剂。我们揭示了聚合物构型的各向异性的初始增强程度决定了流体动力学相互作用是否加速或减速坍塌动力学。我们还讨论了蛋白质折叠的挤压流效应的可能相关性。
Recently, the role of hydrodynamic interactions in the selection of a kinetic pathway for phase transitions has attracted considerable attention. Here we study this problem numerically by taking as an example a coil-globule transition of a single polymer, which is a prototype model of protein folding. When a swollen polymer collapses into a globule state, hydrodynamic interactions accelerate the transition. We find, on the other hand, that when a rather compact polymer collapses into the same final state, hydrodynamic interactions decelerate the transition due to a slow squeezing process of the solvent. We reveal that the degree of the initial enhancement of anisotropy of the polymer configuration determines whether hydrodynamic interactions accelerate or decelerate the collapsing dynamics. We also discuss the possible relevance of squeezing flow effects in protein folding.