Subject: Lipid bilayer simulations - summary

From: Miroslava Culf <[email-masked]>
Date: Tue, 28 Sep 1999 11:38:43 -0300

My original question was:
> I would like to find out more about computer simulations of lipid bilayer.
> Thus I would appreciate any information about RECENT review articles or
> books dealing with any aspect of computer simulation of lipid bilayer or
> behaviour of lipids in the bilayer.

Thanks very much to David van der Spoel, Ramesh V. Durvasula and Rick Venable.
There suggestions were:

David van der Spoel:
Check out the articles from the Berendsen group:
http://md.chem.rug.nl/articles.html
Especially for authors Tieleman and Marrink

Ramesh V. Durvasula:
You should contact the lab of Prof. Ching-hsien Huang, Dept of
Biochemistry, Univ.
of Virginia.  He is one of the foremost authority on lipid bilayers, and
his lab
has done quite a bit of work on bilayer simulations.  His email address is
[email-masked].

Rick Venable:
Our group has worked extensively in this area, and we have a chapter in the
book
"Biological Membranes: A Molecular Perspective from Computation and
Experiment", edited by Kenneth M Merz, Jr., and Benoit Roux, Birkhauser,
1996 ISBN 0-8176-3827-X
We also have a number of journal articles; some recent works are

Feller SE, Pastor RW.  
Constant surface tension simulations of lipid bilayers: The sensitivity
of surface areas and compressibilities
J CHEM PHYS 111: (3) 1281-1287 JUL 15 1999

Feller SE, Venable RM, Pastor RW 
Computer simulation of a DPPC phospholipid bilayer: Structural changes
as a function of molecular surface area
LANGMUIR 13: (24) 6555-6561 NOV 26 1997 

Feller SE, Yin DX, Pastor RW, et al.
Molecular dynamics simulation of unsaturated lipid bilayers at low
hydration: Parameterization and comparison with diffraction studies
BIOPHYS J 73: (5) 2269-2279 NOV 1997 

Sincerely,
Mira

____________________________________________________________

  Miroslava Culf, Ph.D. 
  65 York St.
  Computer Services Department/Chemistry Department 
  Mount Allison University 
  Sackville, NB E4L 1E4
  Canada

  e-mail: [email-masked] 
  tel. 506-364-2411 
  http://www.mta.ca/faculty/science/chem/staff/mculf.htm
____________________________________________________________