(TM3_ASPH-CIS) Simulation CER160_9_POPC_512_TM3_ASPH_10_5up_5down_NaCl_150mM_310K
Authors/Creators
- 1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
Description
System description
-------------------
- Title: (TM3-CIS) Simulation CER160_9_POPC_512_TM3_ASPH_10_5up_5down_NaCl_150mM_310K
- Description: Simulation intake nine ceramides (CER16) to a POPC membrane containing ten LAPTM4B-TM3 peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake)
- MD engine: gromacs 5.0.5-dev-20150319-0bec922
- Force field: charmm36
- Temperature: 310K
- Simulation time: 4000ns
- Saving frequency: 100ps
- Molecular content:
TM3_ASPH 10
POPC 512
CER160 9
SOL 34258
NA 92
CL 92
- Other information:
* Simulations containing 9 CER16 in the water phase initially.
* Membrane containing LAPTM4B TM3 peptides.
* ASP 202 is in protonated form
* 5 peptides pointing up/ 5 peptides pointing down
- Problems
* By mistake some peptides bonds in TM3 are in CIS configuration
Files
README.txt
Files
(26.6 GB)
| Name | Size | |
|---|---|---|
|
md5:bb7feaffd1842c5ea7ec107626fdf33e
|
47.6 MB | Download |
|
md5:1b2d31b456aefcd4c32006ce3e344bfa
|
12.2 MB | Download |
|
md5:d76e198b3569b33e221e972114df1e96
|
4.3 MB | Download |
|
md5:ef43aaa7d8f692ed35bf245ec09a0d1f
|
25.4 MB | Download |
|
md5:d3d1f0fcadf321f3ed4d5f3a8dbce1c1
|
12.2 MB | Download |
|
md5:87b9cf07c19d6490b18d9b6ec5f01b92
|
1.1 kB | Download |
|
md5:57942624308120be0aa61914c4fe1037
|
6.2 MB | Download |
|
md5:dd36281225e32df697b56c11c3434250
|
653 Bytes | Download |
|
md5:33ddc4e3af9da1a1390a0c75082b2402
|
5.2 MB | Download |
|
md5:4d43890275802e40ed854731820881eb
|
26.5 GB | Download |
|
md5:31ec4d9e94fab843eaec29433897f237
|
11.6 kB | Download |
|
md5:efc9e322a0f61b3f84cc306fec3f72ba
|
4.3 MB | Download |
|
md5:7e133f3f5ede79f459f36dc4fa19cd8f
|
4.4 MB | Download |
|
md5:cc433b0ed1730ec1c495b8451ed5071a
|
908 Bytes | Preview Download |
|
md5:28a1c685b721ebff02141da3f0b391a0
|
34.8 kB | Download |