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Effect of DNA Flexibility on Complex Formation of a Cationic Nanoparticle with Double-Stranded DNA
- Title
- Effect of DNA Flexibility on Complex Formation of a Cationic Nanoparticle with Double-Stranded DNA
- Authors
- Bae, Sehui; Oh, Inrok; Yoo, Jejoong; Kim, Jun Soo
- Ewha Authors
- 김준수
- SCOPUS Author ID
- 김준수
- Issue Date
- 2021
- Journal Title
- ACS OMEGA
- ISSN
- 2470-1343
- Citation
- ACS OMEGA vol. 6, no. 29, pp. 18728 - 18736
- Publisher
- AMER CHEMICAL SOC
- Indexed
- SCIE; SCOPUS
- Document Type
- Article
- Abstract
- We present extensive molecular dynamics simulations of a cationic nanoparticle and a double-stranded DNA molecule to discuss the effect of DNA flexibility on the complex formation of a cationic nanoparticle with double-stranded DNA. Martini coarse-grained models were employed to describe double-stranded DNA molecules with two different flexibilities and cationic nanoparticles with three different electric charges. As the electric charge of a cationic nanoparticle increases, the degree of DNA bending increases, eventually leading to the wrapping of DNA around the nanoparticle at high electric charges. However, a small increase in the persistence length of DNA by 10 nm requires a cationic nanoparticle with a markedly increased electric charge to bend and wrap DNA around. Thus, a more flexible DNA molecule bends and wraps around a cationic nanoparticle with an intermediate electric charge, whereas a less flexible DNA molecule binds to a nanoparticle with the same electric charge without notable bending. This work provides solid evidence that a small difference in DNA flexibility (as small as 10 nm in persistence length) has a substantial influence on the complex formation of DNA with proteins from a biological perspective and suggests that the variation of sequence-dependent DNA flexibility can be utilized in DNA nanotechnology as a new tool to manipulate the structure of DNA molecules mediated by nanoparticle binding.
- DOI
- 10.1021/acsomega.1c01709
- Appears in Collections:
- 자연과학대학 > 화학·나노과학전공 > Journal papers
- Files in This Item:
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acsomega.1c01709.pdf(9.23 MB)
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