CiteULike: dchen's Gu http://www.citeulike.org/user/dchen/author/Gu CiteULike.org en-gb Copyright © 2004-2008 citeulike.org http://www.citeulike.org/user/dchen/article/2767689 <i>Physical Review Letters, Vol. 100, No. 8. (2008)</i><br /><br />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. Solvent-Induced DNA Conformational Transition B Gu FS Zhang ZP Wang HY Zhou doi:10.1103/PhysRevLett.100.088104 Physical Review Letters, Vol. 100, No. 8. (2008) 2008-05-07T23:28:21-00:00 Physical Review Letters 100 8 APS 2008 biology people