[gmx-users] membrane proteins simulation

Justin Lemkul jalemkul at vt.edu
Sun Mar 5 17:09:03 CET 2017

On 3/5/17 1:44 AM, Negar Parvizi wrote:
> Dear all users,
> I am new in membrane proteins simulation. I want to simulate a membrane protein that it is a part of a large protein and has a big extracellular part.Here is my question: is it ok, I just simulate the membrane part even it is a part of a large protein? and if the answer is yes, what is the best expiation for it ?

That depends on the biological function of the protein and what is known about 
how the different domains may interact.



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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


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