​​The Cambridge Crystallographic Data Centre (CCDC).
The CCDC websites use cookies. By continuing to browse the site you are agreeing to our use of cookies. For more details about cookies and how to manage them, see our  cookie policy.

Which scoring function is best for general use?


All the scoring functions have strengths and weaknesses. We have found that ChemPLP on the whole is the best performing scoring function for both pose prediction and virtual screening, and thus it is now the default scoring function in GOLD. Other scoring functions may work well for certain protein targets. ChemScore, for instance, is good for use with nuclear hormone receptors. Template docking protocols making use of the optimum scoring function or combination of scoring functions are available in GOLD for a number of different protein targets.