Model Analysis: Plot

Hello, I am an undergraduate. Question: How can I determine the significance or reliability of the plot generated by the algorithm for my docking result? Thank you in advance!

Hi Aron

We usually base on analysis on the HADDOCK score.

Relevant points to consider:

  • is the score of the best cluster significantly different from the second best and such?
  • how many models to cluster? I.e. is there some convergence in your simulations?
  • how do the plots look like? E.g. a “potato” of points is not indicative of good convergence.
  • Do you see convergence / “binding funnels”?
  • Do your model satisfy the input data?

Check our various online tutorials at Education & Tutorials of the Bonvin Lab – Bonvin Lab

And also our best practice guide at

and in particular: