4.7 Article

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 148, 期 13, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.5019344

关键词

-

资金

  1. EPSRC [EP/I001352/1, EP/J019445/1]
  2. FCT-Portugal [SFRH/BD/94405/2013]
  3. Royal Society University Research Fellowship
  4. Fundação para a Ciência e a Tecnologia [SFRH/BD/94405/2013] Funding Source: FCT
  5. EPSRC [EP/I001352/1, EP/J019445/1] Funding Source: UKRI

向作者/读者索取更多资源

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to parametrize a coarser kinetic model that can reach the time and length scales needed to study the assembly mechanisms of these structures. We test the model by performing a detailed study of the assembly pathways for a two-dimensional target structure made up of 334 unique strands each of which are 42 nucleotides long. Without adjustable parameters, the model reproduces a critical temperature for the formation of the assembly that is close to the temperature at which assembly first occurs in experiments. Furthermore, the model allows us to investigate in detail the nucleation barriers and the distribution of critical nucleus shapes for the assembly of a single target structure. The assembly intermediates are compact and highly connected (although not maximally so), and classical nucleation theory provides a good fit to the height and shape of the nucleation barrier at temperatures close to where assembly first occurs. Published by AIP Publishing.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据