[gmx-users] PDBs for mixed lipid bilayer/membrane

Volker Wirth wirthvolker at gmail.com
Wed Jul 2 17:10:32 CEST 2008


Hello list,

first of all, my question in short: Does anyone know a source for
PDB-files of mixed membranes (such as DMPC/DMPS or so)?

And here more info:
Within my diploma thesis I want to simulate a protein (ca. 20
residues) interacting with a lipid bilayer (not a transmembrane
protein). Besides the probably normal challanges in starting up with
GROMACS, I need your help with a special problem:

As a source for one-component bilayer pdb's (containing DOPC, SDPC,
DMPC, DPPC and POPC) I found
   http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies
   http://persweb.wabash.edu/facstaff/fellers/
   http://www.lrz-muenchen.de/~heller/membrane/membrane.html
   http://www.apmaths.uwo.ca/~mkarttu//downloads.shtml
and maybe one could do fancy (protein insertion-) things using the
membrane builder of
   http://www.charmm-gui.org/
but to get closer to reality (and to be able to compare simulation
results with experiments) one might prefer a mix of different lipids
(e.g. DMPC, DMPS, DMPG, at least anything like **PC, **PS, **PG or
anything like that). Here is my problem, because I can't find any
sites that offer such pdb files.

Is there someone out there who knows more or even has experience in
simulations like that? A similar example would help me with this, too.

Thanks a lot in advance, I hope I can share my knowledge some other time, too

Volker



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