Published June 12, 2023
| Version v1
Dataset
Open
Molecular dynamics simulations of CD59 and CD59-inhibited Membrane Attack Complex
Authors/Creators
- 1. Department of Life Sciences, Sir Ernst Chain Building, Imperial College London, London SW7 2AZ, United Kingdom
- 2. Department of Chemistry, Molecular Sciences Research Hub, Imperial College London, London, W12 0BZ, United Kingdom
Description
Coarse-grain (CG) trajectories of CD59-C5b8 (last 1,500 ns):
- cd59-c5b8_1500ns_rep1.xtc
- cd59-c5b8_1500ns_rep2.xtc
- cd59-c5b8_1500ns_rep3.xtc
PyLipID analysis results from CG CD59-C5b8 simulations:
- Interactions_CHOL.csv
- Interactions_DOPC.csv
Atomistic CD59 simulations in DOPC membrane:
- cd59_at_rep1_light.trr
- cd59_at_rep2_light.trr
- cd59_at_rep3_light.trr
CD59 Euler angles relative to the membrane:
- rep1.csv
- rep2.csv
- rep3.csv
All xtc and trr files were down-sampled (frames removed) to decrease file size.
Files
Interactions_CHOL.csv
Files
(26.7 GB)
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