CAS OpenIR  > 中科院上海应用物理研究所2011-2020年
DNA Base Pair Hybridization and Water-Mediated Metastable Structures Studied by Molecular Dynamics Simulations
Qi, Wenpeng(亓文鹏); Song, Bo(宋波); Lei, Xiaoling(雷晓玲); Wang, Chunlei(王春雷); Fang, Haiping(方海平)
2011
Source PublicationBIOCHEMISTRY
ISSN0006-2960
Volume50Issue:44Pages:9628
AbstractThe base pair hybridization of a DNA segment was studied using molecular dynamics simulation. The results show the obvious correlation between the probability of successful hybridization and the accessible surface area to water of two successive base pairs, including the unpaired base pair adjacent to paired base pair and this adjacent paired base pair. Importantly, two metastable structures in an A-T base pair were discovered by the analysis of the free energy landscape. Both structures involved addition of a water molecule to the linkage between the two nucleobases in one base pair. The existence of the metastable structures provide potential barriers to the Watson-Crick base pair, and numerical simulations show that those potential barriers can be surmounted by thermal fluctuations at higher temperatures. These studies contribute an important step toward the understanding of the mechanism in DNA hybridization, particularly the effect of temperature on DNA hybridization and polymerase chain reaction. These observations are expected to be helpful for facilitating experimental bio/nanotechnology designs involving fast hybridization.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000296304200020
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/9493
Collection中科院上海应用物理研究所2011-2020年
Recommended Citation
GB/T 7714
Qi, Wenpeng,Song, Bo,Lei, Xiaoling,et al. DNA Base Pair Hybridization and Water-Mediated Metastable Structures Studied by Molecular Dynamics Simulations[J]. BIOCHEMISTRY,2011,50(44):9628.
APA Qi, Wenpeng,Song, Bo,Lei, Xiaoling,Wang, Chunlei,&Fang, Haiping.(2011).DNA Base Pair Hybridization and Water-Mediated Metastable Structures Studied by Molecular Dynamics Simulations.BIOCHEMISTRY,50(44),9628.
MLA Qi, Wenpeng,et al."DNA Base Pair Hybridization and Water-Mediated Metastable Structures Studied by Molecular Dynamics Simulations".BIOCHEMISTRY 50.44(2011):9628.
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