(TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep1)
| Main Author: | Hector Martinez-Seara |
|---|---|
| Format: | info dataset eJournal |
| Terbitan: |
, 2018
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/1205549 |
Daftar Isi:
- 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