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28 May 2022
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Brownian dynamics simulation of the effect of histone modification on nucleosome structure
Wei Li ; Shuo-Xing Dou ; Ping Xie ; Peng-Ye Wang ;
Date 30 Apr 2007
Journal Phys Rev E, 75 (5 Pt 1), 051915
AbstractUsing Brownian dynamics we simulate the effect of histone modification, such as phosphorylation, acetylation, and methylation, on nucleosome structure by varying the interaction force between DNA and the histone octamer. The simulation shows that the structural stability of nucleosome is very sensitive to the interaction force, and the DNA unwrapping from the modified histone octamer usually occurs turn by turn. Furthermore, the effects of temperature and DNA break as well as the competition between modified and normal histone octamers are investigated, with the simulation results being in agreement with the experimental observation that phosphorylated nucleosomes near DNA breaks are more easily depleted. Though the simulation study may only give a coarse grained view of the DNA unwrapping process for the modified histone octamer, it may provide insight into the mechanism of DNA repair.
Source PubMed, pmid17677106
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