(TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep2)
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https://zenodo.org/record/1205557
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System description
-------------------
- Title: (TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep2)
- 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
创建时间：
2020-01-21
