jalemkul at vt.edu
Thu Dec 31 15:06:59 CET 2015
On 12/31/15 1:15 AM, Sana Saeed wrote:
> hi gmx users
> what should be the protonation states of
> of amino acids LYS, ARG, ASP, GLU, GLN and HIS at PH 2
I already provided suggestions for this. You need to calculate pKa values.
This is not a GROMACS question, so please look up some basic biochemistry and
apply Google as needed.
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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