This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The transcriptional regulator MerR controls the expression of proteins involved in bacterial mercury resistance. Here, we propose a set of molecular dynamics simulations to study the structure and conformational dynamics of Hg(II)-activated MerR in complex with DNA on microsecond time scales using Anton at the Pittsburgh Supercomputer Center.