作者: H. Salari , B. Eslami-Mossallam , S. Naderi , M. R. Ejtehadi
DOI: 10.1063/1.4929994
关键词: Orders of magnitude (time) 、 Chemistry 、 Computational chemistry 、 Umbrella sampling 、 Base pair 、 Monte Carlo method 、 Asymmetry 、 Flexural rigidity 、 Helix 、 Bending 、 Molecular physics
摘要: Experimental data of the DNA cyclization (J-factor) at short length scales exceed theoretical expectation based on wormlike chain (WLC) model by several orders magnitude. Here, we propose that asymmetric bending rigidity double helix in groove direction can be responsible for extreme bendability and it also facilitates loop formation these lengths. To account asymmetry, consider elastic rod (AER) which has been introduced parametrized an earlier study [B. Eslami-Mossallam M. R. Ejtehadi, Phys. Rev. E 80, 011919 (2009)]. Exploiting a coarse grained representation molecule base pair (bp) level using Monte Carlo simulation method combination with umbrella sampling technique, calculate probability AER model. We show larger J-factor compared to WLC is excellent agreement recent experimental data.