Hello, can you help me interpret these results?
It is a 100 ns molecular dynamic of a receptor-ligand complex, red is the ligand.
Is there a guide or paper to interpret these results?
I really appreciate your help
Andrés Reyes Chaparro
Hi
I saw your complex result of simulation it is very stable and RMSD of both protein and ligand less than 2A. You can evaluate your data by some articles.
Article A dynamic simulation study of FDA drug from zinc database ag...
https://www.nature.com/articles/s41598-020-74468-0
Based on the figure above, the rmsd shows that your system/complex is stable.
However, if you should generate that figure with the first frame during/from MD and not the input coordinates, i think you will get an even better and more satisfying figure.
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