Hello dear developers and especially Dr. Bonvin
I reported the wrong score for HADDOCK docking. I used the value in kJ/mol and submitted an article. Is this a terribly dangerous mistake that I should call the editor before passing it to reviewers?
I would appreciate your reply.
Thank you.
Our score are reported as arbitrary units (a.u.) because there is simply very poor correlation between score and binding affinity (which is true for pretty much all docking software)
I guess not a big deal in your case but I would correct in the revisions
Thank you so much, dear professor, Bonvin; what a great job you are doing. I hope there will be a chance for revision before publishing if It is accepted because it seems to be.