AutoDock web site. AutoDock Vina Video Tutorial! This video tutorial demonstrates molecular docking of imatinib using Vina with AutoDock Tools and PyMOL. Using AutoDock 4 and. Vina with. AutoDockTools: A Tutorial. Written by Ruth Huey, Garrett M. Morris and Stefano Forli. The Scripps Research. – AutoDock 4. Current version of AutoDock. Many parameters available to user. – AutoDock Vina. Rewritten by Oleg Trott, new approach to scoring.
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AutoDock Vina – molecular docking and virtual screening program
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See Gina It should be noted that the predictive accuracy varies a tutogial depending on the target, so it makes sense to evaluate AutoDock Vina against your particular target first, if you have known actives, or a bound native ligand structure, before ordering compounds.
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Note that the probability of failing to find the mininum may be different with a different system. You split the receptor into two parts: I changed something, and now the docking results are different. While evaluating any docking engine in a retrospective virtual screen, it might make sense to select decoys of similar size, and perhaps other physical characteristics, to your known actives.
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