I would like to know the acceptable error margin for the lowest free energy of a protein. In other words, say, both Group A and B have determined the lowest free energy of the same protein in their respective labs. What is an appropriate error margin so that I can compare these two results?
I just came across this article.
Now let me quote the following from the article.
Note that we generally require predictions to be within 1 kcal/mol to be useful, since 1.4 kcal/mol equates to a 10-fold difference in binding affinity.
Can we use this 1 kcal/mol as the acceptable error margin?
from *(lehninger principles of biochemistry) and Is Kd (the dissociation constant) for a given protein-ligand pair directly correlated to binding affinity (kcal/mol, Rosetta Energy Units, etc.)?