Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 김준수 | * |
dc.date.accessioned | 2022-03-08T16:31:39Z | - |
dc.date.available | 2022-03-08T16:31:39Z | - |
dc.date.issued | 2021 | * |
dc.identifier.issn | 1549-9618 | * |
dc.identifier.issn | 1549-9626 | * |
dc.identifier.other | OAK-30695 | * |
dc.identifier.uri | https://dspace.ewha.ac.kr/handle/2015.oak/260834 | - |
dc.description.abstract | 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 similar to 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. | * |
dc.language | English | * |
dc.publisher | AMER CHEMICAL SOC | * |
dc.title | Potential of Mean Force for DNA Wrapping Around a Cationic Nanoparticle | * |
dc.type | Article | * |
dc.relation.issue | 12 | * |
dc.relation.volume | 17 | * |
dc.relation.index | SCIE | * |
dc.relation.index | SCOPUS | * |
dc.relation.startpage | 7952 | * |
dc.relation.lastpage | 7961 | * |
dc.relation.journaltitle | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | * |
dc.identifier.doi | 10.1021/acs.jctc.1c00797 | * |
dc.identifier.wosid | WOS:000752980200049 | * |
dc.identifier.scopusid | 2-s2.0-85119936162 | * |
dc.author.google | Bae, Sehui | * |
dc.author.google | Kim, Jun Soo | * |
dc.contributor.scopusid | 김준수(23670121600) | * |
dc.date.modifydate | 20240215165024 | * |