生物谷報道:北京師范大學低能核物理研究所“京師學者”特聘教授張豐收領(lǐng)導的課題組,利用室溫下分子模擬方法研究了DNA在具有不同分子極性的溶劑環(huán)境中發(fā)生的構(gòu)象變化規(guī)律,研究結(jié)果發(fā)表于2008年2月29日出版的《物理評論快報》(Physical Review Letters)上,。審稿專家認為該研究從分子層次對DNA構(gòu)象轉(zhuǎn)變機制進行了闡述,,對多學科交叉研究DNA結(jié)構(gòu)和功能有重要意義。(來源:北京師范大學低能核物理研究所)
生物谷推薦原始出處:
(Physical Review Letters),,100, 088104 (2008) ,,B. Gu,F(xiàn). S. Zhang
Solvent-Induced DNA Conformational Transition
B. Gu, F. S. Zhang, Z. P. Wang and H. Y. Zhou
Modified water models with scaled charges are used to investigate solvent polarity effects on DNA structure. Several intensive molecular dynamics simulations of the DNA EcoRI dodecamer d(CGCGAATTCGCG) in different model solvents are performed. When the polarity of the solvent molecule decreases, from overpolarized to less polarized, DNA experiences the conformational transitions of constrainedB form(A-B)mixA form. We demonstrate that one important cause of these structure changes is the competition between hydration and direct cation coupling to the free oxygen atoms in the phosphate groups on DNA backbones.