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

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).

In detail:

charmm36-july2017.ff simulation directory for GROMACS 202X used and useful gromacs files (topologies and mdp files) jupyter notebooks for analysis snapshots and trajectories of monomeric gasdermin D in E. coli PLE, including umbrella sampling simulations snapshots and trajectories of monomeric gasdermin D in POPC/30%cholesterol snapshots and trajectories of arcs of seven gasdermin D subunits in E. coli PLE.