Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'

<p>Simulation files, molecular structures and trajectories, and jupyter notebooks used for analysis underlaying our publication on membrane insertion of monomeric gasdermin D to E. coli polar lipid extract (PLE).</p> <p>In detail:</p> <ol> <li>charmm36-july2017.ff simulation directory for GROMACS 202X</li> <li>used and useful gromacs files (topologies and mdp files)</li> <li>jupyter notebooks for analysis</li> <li>snapshots and trajectories of monomeric gasdermin D in E. coli PLE, including umbrella sampling simulations</li> <li>snapshots and trajectories of monomeric gasdermin D in POPC/30%cholesterol</li> <li>snapshots and trajectories of arcs of seven gasdermin D subunits in E. coli PLE.</li> </ol>