[gmx-users] Choosing lipid type

Justin Lemkul jalemkul at vt.edu
Tue May 6 13:51:34 CEST 2014

On 5/6/14, 4:43 AM, Balasubramanian Suriyanarayanan wrote:
> Dear all,
> I need to simulate a membrane protein (having transmembrane segments).
>   what is the criteria in choosing LIPID MODELS such as DPPC, DOPC.

As with any simulation, you need to simulate a something that is representative 
of some real physical system of interest.  It depends on whether you're trying 
to connect your simulations with some in vitro experiment with pure (or 
otherwise very well-defined) lipids or in vivo, in which the membrane 
composition is very complex.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list