A magnesium-induced triplex pre-organizes the SAM-II riboswitch

  title={A magnesium-induced triplex pre-organizes the SAM-II riboswitch},
  author={Susmita Roy and Heiko Lammert and Ryan L. Hayes and Bin Chen and Regan LeBlanc and T. Kwaku Dayie and Jos{\'e} N. Onuchic and Karissa Y. Sanbonmatsu},
  booktitle={PLoS Computational Biology},
Our 13C- and 1H-chemical exchange saturation transfer (CEST) experiments previously revealed a dynamic exchange between partially closed and open conformations of the SAM-II riboswitch in the absence of ligand. Here, all-atom structure-based molecular simulations, with the electrostatic effects of Manning counter-ion condensation and explicit magnesium ions… CONTINUE READING