Membranes: Difference between revisions
No edit summary |
→Explicit lipids: shameless plug: lipidbook |
||
| Line 2: | Line 2: | ||
== Explicit lipids == | == Explicit lipids == | ||
Parameters for lipids are often not distributed with the standard force field files but can be found on the [http://lipidbook.bioch.ox.ac.uk lipidbook] site. | |||
=== All atom === | === All atom === | ||
Revision as of 13:39, 10 January 2010
Simulations of proteins must also represent the environment faithfully (simulations in vacuum are not appropriate in most cases and really date back to the days when computer resources were severely limited). The environment of a protein consists of the solvent and, if it's a membrane protein, of the lipid bilayer. Here we discuss methods to represent the lipid membrane.
Explicit lipids
Parameters for lipids are often not distributed with the standard force field files but can be found on the lipidbook site.
All atom
All atom representations include heavy atoms and all hydrogens. See united atom for the alternative.
United atom
A united atom representation combines carbons and aliphatic hydrogens into unified particles.
Implicit membrane
Dielectric slab
Statistical potential-based membrane
The membrane is parametrized based on the distribution of amino acids along the bilayer normal Ulmschneider2005.
References
<biblio>
- Ulmschneider2005 pmid=15723347
</biblio>
