![]() Each of these runs consists of a number of sequential steps. In the current implementation, the docking calculation consists of a number of independent runs, starting from random conformations. "AutoDock" refers to AutoDock 4, and "Vina" to AutoDock Vina 1. ![]() Other files, such as the AutoDock and AutoGrid parameter files (GPF, DPF) and grid map files are not needed.īinding mode prediction accuracy on the test set. PDBQT files can be generated (interactively or in batch mode) and viewed using MGLTools. It should be noted that all six of the other docking programs, to which it was compared, are distributed commercially.įor its input and output, Vina uses the same PDBQT molecular structure file format used by AutoDock. Īdditionally and independently, AutoDock Vina has been tested against a virtual screening benchmark called the Directory of Useful Decoys by the Watowich group, and was found to be "a strong competitor against the other programs, and at the top of the pack in many cases". 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.
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