I have posted this question in my Enzyme design thread earlier and it seems it has remained unnoticed. Therefore, I am asking the same query again. I would like to know whether its possible to combine docking + mutation of residues forming the active site. More specifically, I am looking for a protocol where I can combine docking with mutation of active site residues to all 20 amino acids to get best designed active sites based on docking socre. I know this can be done using enzyme design protocol, but is it still possible when we don't have TS for the intermediate and can work with the substrate alone? Hope my query is clear.