The Molecular Graphics Laboratory Forum

Accuracy of calculations
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Author:  Tom2761 [ Tue Jan 27, 2015 3:41 pm ]
Post subject:  Accuracy of calculations

Does anyone know what the accuracy of the Vina (or AutoDock 4) calculations is for the docking energies and the Ki values?

Author:  ebell94 [ Wed Jun 15, 2016 2:49 pm ]
Post subject:  Re: Accuracy of calculations

There was a paper published on this recently: Phys. Chem. Chem. Phys., 2016, 18, 12964-12975

According to that paper, no docking software is particularly stellar at predicting binding affinities but AutoDock Vina is one of the best, the best out of what they studied in that article.

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