(TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep1)
| Main Author: | Hector Martinez-Seara |
|---|---|
| Format: | info dataset eJournal |
| Terbitan: |
, 2018
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/1205257 |
Daftar Isi:
- System description ------------------- - Title: (TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep1) - 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 10 POPC 512 CER160 9 SOL 34248 NA 102 CL 92 - Other information: * Simulations containing 9 CER16 in the water phase initially. * Membrane containing LAPTM4B TM3 peptides. - Problems * By mistake some peptides bonds in TM3 are in CIS configuration