%0 Generic %1 korn2024supplementary %A Korn, Viktoria Helena %A Pluhackova, Kristyna %D 2024 %K %R 10.18419/darus-4474 %T Supplementary Data for 'To enter or not to enter: The vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3' %X 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.

@misc{korn2024supplementary, abstract = {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. }, added-at = {2024-11-11T10:04:43.000+0100}, affiliation = {Korn, Viktoria Helena/Universität Stuttgart, Pluhackova, Kristyna/Universität Stuttgart}, author = {Korn, Viktoria Helena and Pluhackova, Kristyna}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2b6536530e2ec3deab5e0d2c443eee940/unibiblio}, doi = {10.18419/darus-4474}, howpublished = {Software}, interhash = {253166826ee34c0e9c73cc14ffea132f}, intrahash = {b6536530e2ec3deab5e0d2c443eee940}, keywords = {}, note = {Related to: Korn, V. and Pluhackova, K. "To enter or not to enter: The vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3", under review in Communications Chemistry}, orcid-numbers = {Korn, Viktoria Helena/0009-0005-4598-5311, Pluhackova, Kristyna/0000-0002-7498-6584}, timestamp = {2024-11-11T09:04:43.000+0100}, title = {Supplementary Data for 'To enter or not to enter: The vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'}, year = 2024 }