Published October 27, 2022
| Version v1
Preprint
Open
Automated simulation-based membrane-protein refinement into cryo-EM data
Authors/Creators
- 1. Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Solna, Sweden
- 2. KTH Royal Institute of Technology
Description
Experimental cryo-EM density maps and molecular dynamics simulation data related to manuscript titled Automated simulation-based membrane-protein refinement into cryo-EM data.
1MAL_shifted128_125box.pdb - input starting structure
Files with extension .mrc - refined cryo-EM map and corresponding halfmaps
commands - list of example commands used to set up the simulation system and run GROMACS 2021.3 density-guided simulations and analysis
simulations.zip - all production runs referenced to in the manuscript, with input and output files
Files
simulations.zip
Files
(2.2 GB)
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md5:5e45224ecae89587157eb2149c9d70fb
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2.2 GB | Preview Download |
Additional details
Related works
- Has part
- Preprint: 10.1101/2022.10.28.514175 (DOI)