Published April 19, 2023
| Version v1
Dataset
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Raw data for: Structure and assembly of a bacterial gasdermin pore
Description
This repository contains raw data and code related to "Structure and assembly of a bacterial gasdermin pore" by Johnson et al.
Included are molecular dynamics parameter files, structure files after energy minimization and equilibration steps, production trajectories, and code used for analysis. Trajectories are subsampled with every second frame of the original raw trajectories. This results in 1 frame / 2 ns for simulations of full 52-meric pores and 1 frame / 1 ns for all other simulations.
Contact information:
Name: Stefan L. Schaefer
Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics
Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany
Email: stefan.schaefer@biophys.mpg.de
Notes
This work was supported by the Max Planck Society and the Collaborative Research Center 1507 funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation). We also thank the Max Planck Computing and Data Facility (MPCDF) for computational resources.