Effects of Mg<sup>2+</sup> on the binding of the CREB/CRE complex: Full-atom molecular dynamics simulations

Effects of Mg²⁺ on the binding of the CREB/CRE complex: Full-atom molecular dynamics simulations

Mao Song, Wang Shuai, Deng Haiyou^†, Yi Ming^‡

DNA intra-base pair parameters of the CREB/CRE complex. (a) The difference in open of each base. (b) The difference in buckle of each base. (c) The difference in shear of each base. The CREB/CRE complex without the Mg²⁺ ion is chosen as control.