N.B.: If you use the following files in your work, please cite the primary source. (see Description field)
| Name: | Stratum Corneum T24 |
| Lipids: | SXCE, CHOL, LIGN |
| Forcefield: | charmm36 |
| Software: | Namd 2 |
| Files: |
LIM22_Stratum_Corneum_T24.pdb,
LIM22_Stratum_Corneum_T24.txt Parameters and other files
supplementary/
Simulation files
supplementary/t24.crd supplementary/t24.psf supplementary/t24.pdb supplementary/README |
| Number: | 200 lipids |
| Temperature: | 305 °K |
| Equilibration: | 350 ns |
| Tags: | stratum corneum |
| Proteins: | |
| Description: | Primary source: http://terpconnect.umd.edu/~jbklauda/memb.html CER240 and CHL1 lipids have been renamed SXCE and CHOL |
| References: |
Wang2018a
The Journal of Physical Chemistry B, 122.
Simulations of Pure Ceramide and Ternary Lipid Mixtures as Simple Interior Stratum Corneum Models |