From owner-biophysics@net.bio.net Wed Apr 13 23:00:00 1994
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Newsgroups: bionet.biophysics
Subject: Re: Model membranes/Domains/Lipid-Protein..
Message-ID: <2oj2oj$3in@nyheter.chalmers.se>
From: ahlstrom@fy.chalmers.se (Peter Ahlstrom)
Date: 14 Apr 1994 09:35:15 GMT
References: <1994Apr12.201344.1@leif> <2oj15n$aqe@masala.cc.uh.edu>
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In article <2oj15n$aqe@masala.cc.uh.edu>, chembb@menudo.uh.edu (Enrico V. Cantu)
writes:
|> knag@kean.ucs.mun.ca wrote:
|> : MODEL BIOLOGICAL MEMBRANES:: DOMAINS
|> 
|> : 3] What are the main functional relevance of biomembrane domains?
|> 
|> I don't know how what I have to say fits in, but I'm currently doing 
|> an undergraduate (to be followed up in grad. school after graduation)
|> thesis involving molecular dynamics of a simulated lipid bilayer.
|> I am still tinkering with the force field (all-atom CHARMm) but 
|> haven't produced a lot of data as of yet.  There is some crystal
|> data that I am eager to compare.  Most lipid bilayer models have been
|> constrained in ways that I and my advisor finds unacceptable, but
|> that's one of the reasons I'm working on this.
|> 
|> My goal is to eventually have the bilayer thermodynamically stable so 
|> that one of these years I can do some computational protein-lipid inter-
|> actions to study transmembrane domains of proteins and receptors.
|> 
I hope yuo are aware of the fact that such simulations have been performed, 
eg. by Egberts, Berendsen & Marrink (Eur. J. Biophys. 1993 or 1994, but I do
not
know the exact reference, but could try to get it for you). Also a group 
with some connection to Hagler has been doing some work on this. 
If somebody is interested in more information I could try to search for it
(compare also our article on phospholipid monolayers, J.Phys.Chem. 1993, 97,
13691-13702)

Good luck!

Peter Ahlstrom                                       
Applied Physics          Ph +46-31-772 33 68         
Chalmers/Univ Goteborg   Fax +46-31-772 31 34         
S 412 96 Goteborg,Sweden Email ahlstrom@fy.chalmers.se










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