Conformational State Hopping of Knots in Tensioned Polymer Chains

被引:9
作者
Soh, Beatrice W. [1 ]
Klotz, Alexander R. [1 ]
Dai, Liang [2 ]
Doyle, Patrick S. [1 ]
机构
[1] MIT, Dept Chem Engn, Cambridge, MA 02139 USA
[2] City Univ Hong Kong, Dept Phys, Kowloon, 83 Tat Chee Ave, Hong Kong, Peoples R China
基金
美国国家科学基金会;
关键词
DNA-MOLECULES; TREFOIL KNOT; SIMULATIONS; PROTEINS; DYNAMICS; TRANSLOCATION; DIFFUSION;
D O I
10.1021/acsmacrolett.9b00462
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
We use Brownian dynamics simulations to study the conformational states of knots on tensioned chains. Focusing specifically on the 81 knot, we observe knot conformational state hopping and show that the process can be described by a two-state kinetic model in the presence of an external force. The distribution of knot conformational states depends on the applied chain tension, which leads to a force dependent distribution of knot untying pathways. We generalize our findings by considering the untying pathways of other knots and find that the way knots untie is generally governed by the force applied to the chain. From a broader perspective, being able to influence how a knot unties via external force can potentially be useful for applications of single-molecule techniques in which knots are unwanted.
引用
收藏
页码:905 / 911
页数:13
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