Question: stereochemical issue after MD simulation
gravatar for sakshisingh.bioinfo
21 months ago by
sakshisingh.bioinfo30 wrote:

Hi everyone,

I need suggestion from you all. I have performed MD simulation of predicted protein with the help of GROMACS. After completing the simulation, I checked stereo-chemical analysis but I found that the amino acids of simulated protein are more in a disallowed region as compare to initially predicted protein. If simulation gives you structure accuracy so why it does not happen in my experimental case. I hope i will get answer asap. Thanking you

ADD COMMENTlink modified 10 months ago by rprog00830 • written 21 months ago by sakshisingh.bioinfo30
gravatar for rprog008
10 months ago by
rprog00830 wrote:

At first you fix the PDB file of protein via WhatIf server and later perform MD simulation. It generally work. :)

ADD COMMENTlink modified 10 months ago • written 10 months ago by rprog00830
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