[gmx-users] Fwd: Can a mutation make a protein stable - result analysis from GROMACs run
jalemkul at vt.edu
Thu Sep 14 01:37:45 CEST 2017
On 9/11/17 5:33 PM, Deep kumar wrote:
> Hello All,
> I ran a 10ns simulation on a wild and mutant type of a protein complex.
> Attached is the rmsf graph. "Green" is the mutant protein with mutation at
> residue 71 (marked) and "purple" is the wild protein. After looking at the
> graph can it be said that the mutant has made the complex more stable? How
> possible is this scenario? I am yet to do dssp analysis and h-bond
> analysis. Can someone tell me what other analysis can be useful for this
Lots of things may be useful, but it depends on the nature of the
protein and its composition. No one here is going to be able to tell
you what to do, nor is that the purpose of this list. Research what is
known about your system, think about its architecture and interactions
10 ns is not nearly enough data to conclude anything meaningful.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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