التفاصيل البيبلوغرافية
| العنوان: |
Potential of Mean Force for DNA Wrapping Around a Cationic Nanoparticle |
| المؤلفون: |
Sehui Bae (11141646), Jun Soo Kim (1737499) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Pharmacology, Cancer, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, ∼ 10 nm, extensive research interest, 25 , two dna sequences, scale dna structures, dna around proteins, ac )< sub, np wrapped around, less flexible dna, dependent dna flexibility, dna wrapping around, )< sub, flexible dna, dependent binding, stranded dna, dna wrapping, dna nanotechnologies, dna molecule, dna bending |
| الوصف: |
Sharp bending and wrapping of DNA around proteins and nanoparticles (NPs) has been of extensive research interest. Here, we present the potential of mean force (PMF) for wrapping a DNA double helix around a cationic NP using coarse-grained models of a double-stranded DNA and a cationic NP. Starting from a NP wrapped around by DNA, the PMF was calculated along the distance between the center of the NP and one end of the DNA molecule. A relationship between the distance and the extent of DNA wrapping is used to calculate the PMF as a function of DNA wrapping around a NP. In particular, the PMF was compared for two DNA sequences of (AT) 25 /(AT) 25 and (AC) 25 /(GT) 25 , for which the persistence lengths are different by ∼10 nm. The simulation results provide solid evidence of the thermodynamic preference for complex formation of a cationic NP with more flexible DNA over the less flexible DNA. Furthermore, we estimated the elastic energy of DNA bending, which was in good order-of-magnitude agreement with the theoretical prediction of elastic rods. This work suggests that the variation of sequence-dependent DNA flexibility can be utilized in DNA nanotechnologies, in which the position and dynamics of NPs are regulated on large-scale DNA structures, or the structural transformation of DNA is triggered by the sequence-dependent binding of NPs. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| العلاقة: |
https://figshare.com/articles/journal_contribution/Potential_of_Mean_Force_for_DNA_Wrapping_Around_a_Cationic_Nanoparticle/17041224Test |
| DOI: |
10.1021/acs.jctc.1c00797.s001 |
| الإتاحة: |
https://doi.org/10.1021/acs.jctc.1c00797.s001Test |
| حقوق: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.12540F98 |
| قاعدة البيانات: |
BASE |
