I am interested in performing an atomistic molecular dynamic simulation of a protein in its native and glycated state. The glycating agent of my choice is methylglyoxal. However, I am unable to find any reference to how to model such glycation since the crystal structure of the protein of interest is not present. I am aware that glycation leads to the formation of variable adducts. I was able to find a server that can model post-translational modification of protein but glycation was not available on it.
If anyone can guide me on how to model such modification so that I can generate a coordinate file that can then be used as an input for MD simulation, it would be of great help.
Thanks in advance.
- Badges
- Science topic
- Similar topics
- Analytical Chemistry
- Extraction
More Owais Ahmad's questions See All
Similar questions and discussions