生物谷报道:北京师范大学低能核物理研究所“京师学者”特聘教授张丰收领导的课题组,利用室温下分子模拟方法研究了DNA在具有不同分子极性的溶剂环境中发生的构象变化规律,研究结果发表于2008年2月29日出版的《物理评论快报》(Physical Review Letters)上。审稿专家认为该研究从分子层次对DNA构象转变机制进行了阐述,对多学科交叉研究DNA结构和功能有重要意义。(来源:北京师范大学低能核物理研究所)
生物谷推荐原始出处:
(Physical Review Letters),100, 088104 (2008) ,B. Gu,F. 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.