Published March 22, 2018
| Version v1
Dataset
Open
(TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep1)
Authors/Creators
- 1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
Description
Title: (TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep1)
Description: Simulation of a POPC membrane containing ten LAPTM4B-TM3_D2A peptides using charmm36 at 310K. (TM3_D2A peptides have cis peptides bonds by mistake)
MD engine: gromacs 2016.1
Force field: charmm36
Temperature: 310K
Simulation time: 1000ns
Saving frequency: 100ps
Molecular content:
TM3_D2A 10
POPC 512
SOL 20470
NA 55
CL 55
Other information:
* Membrane containing LAPTM4B TM3 peptides.
* The peptide presents the D202A mutation.
* 5 peptides pointing up/ 5 peptides pointing down.
- Problems
* By mistake some peptides bonds in TM3 are in CIS configuration
Files
README.txt
Files
(5.1 GB)
| Name | Size | |
|---|---|---|
|
md5:55604cd8ba0a23e0e0e11c84ee7d6eea
|
9.3 MB | Download |
|
md5:a60108436f5afa1cf81c456c8d5d0773
|
3.2 MB | Download |
|
md5:b62f3afcce558dccd5014fd290be4e24
|
6.6 MB | Download |
|
md5:ba92dd43689b4beed791e8f6e881a104
|
7.6 MB | Download |
|
md5:69e5259419289b50148dfa27a5f179fd
|
1.2 kB | Download |
|
md5:2da28d7892ee7ee68eea1c134cbd1164
|
5.1 MB | Download |
|
md5:d3308c9be34a2a3561e4afc7bfe63a92
|
570 Bytes | Download |
|
md5:00178d65985fefbf3c7769e2cd47d5c6
|
4.6 MB | Download |
|
md5:7570bc6af984cc293100b4fc9f8c700b
|
5.1 GB | Download |
|
md5:537c73c7bb4f36df2a21b9478bb6efa4
|
6.1 MB | Download |
|
md5:54c599cacfee3bd86bbd3837b0a5ff67
|
12.4 kB | Download |
|
md5:e1bdef5e9554a52550238d636f3b6aa1
|
3.2 MB | Download |
|
md5:f6d4497058d9fc4775fa2a8639233efc
|
38.1 kB | Download |
|
md5:caaa3fb5e4c61a59a4bd517af17a90cb
|
804 Bytes | Preview Download |
|
md5:fdb96c0f18d834e689fcc511261a8333
|
135.7 kB | Download |
|
md5:d62f741d38b36012b5c502ab1a59415d
|
7.4 kB | Download |