Published February 9, 2021
| Version v1
Dataset
Open
All-atom Phospholipid membranes of various sizes and compositions
Authors/Creators
- 1. King's College London (UK)
- 2. Institut Charles Sadron (FR)
Description
Publication: Ripple-like instability in the simulated gel phase of finite size phosphocholine bilayers
Published on: To be published
Journal: To be submitted
Description: Simulation files of different lipid bilayer made either of DPPC, DPPE or DSPC. Different number of lipids per bilayers are provided (given in the name of the file). The average number of water molecules per lipid is circa 160 water molecules per lipid.
Complete simulations are provided for two of the systems
Simulation details:
- Software: Gromacs (v. 2016.4)
- Forcefield: Charmm36 (v. June 2015) - Water: TIP3P
- Thermostat: Nose-hoover (0.4ps, 2 groups)
- Barostat: Parrinello-Rahman semi-isotropic (2.0ps, 1.0 bar on each axis, 4.5e-5 bar-1)
- Duration: 50 ns
Files
Files
(7.6 GB)
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md5:fa77ab7411288d0e3cc5d2dafc2af476
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5.6 MB | Download |
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md5:8551b990b49bad8c2c9c22a1c00e6b0f
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2.4 MB | Download |
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md5:f0f01b3bc8e91e20386ef2e4c6815f78
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5.6 MB | Download |
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md5:ecf7ce9e2d98d7eec1fc11a7794212a5
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2.4 MB | Download |
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md5:3c36c607753734a869d1a17f1e452598
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5.6 MB | Download |
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md5:aa3110974f98a9783ae8c11a94296c1e
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2.4 MB | Download |
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md5:803c7ca6986eca8ecd5e47f040d6ec76
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7.3 MB | Download |
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md5:2e33f352c3bcbced3c3294118f79b43c
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3.1 MB | Download |
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md5:094176090002545e152710726a39ba94
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8.1 MB | Download |
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md5:bcb986d7603e7ce9674007e88a66f404
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3.4 MB | Download |
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md5:7f22e546bf16e363c0103889edef8c09
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11.1 MB | Download |
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md5:be870eee8c9e66c2d3f53df251df8631
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4.6 MB | Download |
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md5:6142efcb7d1fb4d7244ebfce1a2e1a1e
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6.0 GB | Download |
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md5:a7144e8c7f79743f7a4dc432e5e3e6c1
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11.1 MB | Download |
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md5:74ea8c7047a4de641c7ed66184c1dd0a
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4.6 MB | Download |
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md5:5868c34ca87b1dc2755e9417b2bdfec1
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1.4 MB | Download |
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md5:5d45980b52b1099729c02d9394913026
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655.4 kB | Download |
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md5:cd0ca25140b6056a393f3bdcde450f00
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22.3 MB | Download |
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md5:5f35e6afc66df76db467edf0214d189e
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9.1 MB | Download |
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md5:aad9298fc5fccb68a93bbfd891720abf
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2.8 MB | Download |
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md5:b4c7ad0904a7d2a1ce2b5160425d897e
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1.2 MB | Download |
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md5:f4efbe838025a8747ca3a17e6ce22134
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1.5 GB | Download |
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md5:c662dbee885dcca6de2e71d0bc640c9f
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4.1 MB | Download |
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md5:c8fe0c0863eb67eb9e922491ee35904e
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1.7 MB | Download |
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md5:b0a88b623eb71cc426b51faea7707cf6
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8.1 MB | Download |
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md5:f36db1f690b549b51d13998292c9efd0
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3.4 MB | Download |
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md5:72b2e3487f3ae70ff6220be643f89798
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6.1 MB | Download |
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md5:94e10b9c168d144ea9cf5074f5ab202b
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2.6 MB | Download |
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md5:805413c135d382fb009bcbaafb1e8519
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2.6 MB | Download |
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md5:debdfc44beb402e27dd0843bf1d20aaf
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1.2 MB | Download |
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md5:09569b868c45d7b2a783e7ad1532721d
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6.7 MB | Download |
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md5:e716f2e6bf4f1c83eab21c938818dee4
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2.8 MB | Download |
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md5:707337486ebfd060b6738b4931c8318f
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2.9 MB | Download |
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md5:8db3b7e0c223c756dd25057116cb579c
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1.3 MB | Download |