Dataset for: Modeling Allosteric Mechanisms of Eukaryotic Type II Topoisomerases

<p>The set of molecular dynamics trajectories generated and analyzed in the paper &quot;Modeling Allosteric Mechanisms of Eukaryotic Type II Topoisomerases.&quot; &nbsp;<strong>Citations should refer directly to the manuscript.&nbsp;</strong>&nbsp;</p> <p>The uploaded zip file &quot;trajectory_data.zip&quot; contains trajectories for the (1) ATP (2) ADP (3) Apo (4) D26N (5) R1128G and (6) D26N/R1128G&nbsp;h3k9ac systems. &nbsp;In each directory is 5 XTC files, which correspond to the trajectories for the 5 different simulations performed for each system, along with an AMBER-formated PRMTOP file. Solvent molecules were removed from each file, and trajectories were strided such that there is one frame per 100 ps.&nbsp;</p>