1-octanol
The package viewer shows the meta data for the package and the available versions, i.e. the history of the parameters. Note that files can differ between versions, in which case the SHA1 checksum after the filename will differ. You can read and add comments for a particular version through the button on each version.
If you are the curator of a package (i.e. you added it) and you are logged in then you can also edit the package.
| Lipid | 1-octanol (1OCT) Pubchem CID:957 |
|---|---|
| Forcefield | GROMOS43a1 |
| Code | Gromacs |
| Authors | Magdalena Elzbieta Siwko |
| Licence |  |
| Curator | Oliver Beckstein |
| Abstract | 1-Octanol from Magdalena Elzbieta Siwko's thesis (Appendix A.3) Taken from 06_appendix.pdf (Archived by WebCite® at http://www.webcitation.org/5tY9oUiVa). Comment characters added where necessary (OB 2009-08-12). Validation (as shown in the thesis):MD density (neat octanol at 298K): 829.1 ± 0.1 g/l. Experiment [1]: 827 g/l [1] CRC handbook of chemistry and physics, 67th Edition, R. C. Weast (Ed.), CRC Press, Boca Raton, Florida, 1987. |
References
Magdalena Elzbieta Siwko, Disturb or stabilise? Effects of different molecules on biological membranes., PhD Thesis Rijksuniversiteit Groningen
http://irs.ub.rug.nl/ppn/306162822
(2008),
[no doi], [no pubmed id]
Primary Experimental
R. C. Weast (Ed), CRC handbook of chemistry and physics, 67th Edition,
http://www.hbcpnetbase.com/
(1987),
[no doi], [no pubmed id]
Primary Experimental
Versions
| Version | 2 | ||
|---|---|---|---|
| Topology |
|
||
| Parameters |
|
||
| PDB structure |
|
||
| Bilayer structure |
|
||
| Version | 1 | ||
|---|---|---|---|
| Topology |
|
||
| Parameters |
|
||
| PDB structure |
|
||
| Bilayer structure |
|
||