On 5/25/17 5:19 AM, Kashif wrote:
Hi I have simulated my protein drug complex for 20 ns. My protein size was actually 600 amino acid residues but I have simulated only docked portion of my protein which was only about 300 aa residues. Now I want to see the effect of rest of my protein sequences on the stability of this 300 aa+drug complex. How to do that?
Simulating the whole 600-residue protein is where I'd start. -Justin -- ================================================== 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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
