[gmx-users] docking

Justin Lemkul jalemkul at vt.edu
Sat Feb 20 20:21:30 CET 2016

On 2/20/16 7:03 AM, Negar Parvizi wrote:
> Hello friends,
> I want to dock a simulated protein like: human serum albumin to the drug. I was wondering if i could use docking with gromacs or other softwares?If I can use gromacs docking, where can i find a good tutorial ?

GROMACS doesn't perform docking.  You can use it to do subsequent MD simulations 
of docked complexes, though.  Tutorials for that are easily found via Google...



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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