N.B.: If you use the following files in your work, please cite the primary source. (see Description field)
| Name: | exosome M2 |
| Lipids: | CHOL, POPC, SPSM, SXSM, POPS, OPPE |
| Forcefield: | opls-aa Rog2016 |
| Software: | Gromacs 4.5 |
| Files: |
LIM12_exosome_M2.gro,
LIM12_exosome_M2.txt Parameters and other files
supplementary/
Simulation files
supplementary/grompp.mdp grompp.mdp |
| Number: | 253 lipids |
| Temperature: | 310 °K |
| Equilibration: | 200 ns |
| Tags: | exosome, prostate, cancer, PC-3 |
| Proteins: | |
| Description: | Primary source: https://www.sciencedirect.com/science/article/pii/S2352340916301755?via%3Dihub SM16 and SM24 residues have been renamed SPSM and SXSM, respectively. The last methyl of the OPPE oleoyl chains have been regenerated and a short minimization performed. |
| References: |
Róg2016
Data in Brief, 7.
Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force field for lipids compatible with OPLS-AA parameters |