Which scoring function is best for general use?

Modified on Thu, 1 Aug, 2024 at 12:22 PM

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.

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