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AutoDock Vina

It should be noted that all six of the other docking programs, to which it was compared, are distributed commercially. Binding mode prediction accuracy on the test set. Ease of Use Vina's design philosophy is not to require the user to understand its implementation details, tweak obscure search parameters, cluster results or know advanced algebra quaternions. All that is required is the structures of the molecules being docked and the specification of the search space including the binding site. Calculating grid maps and assigning atom charges is not needed. The usage summary can be printed with " vina --help ".


Vina Video Tutorial

It was designed and implemented by Dr. The image on the left illustrates the results of flexible docking green superimposed on the crystal structures of a indinavir, b atorvastatin, c imatinib, and d oseltamivir bound to their respective targets. Trott, A. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 Features Accuracy AutoDock Vina significantly improves the average accuracy of the binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development.


AutoDock Vina Manual


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