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AutoDock Vina is one of the docking engines of the AutoDock Suite. 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.
NOTE: The latest stable version of AutoDock Vina can be downloaded from the GitHub repository. Older versions are available here. See also: GUIs, web interfaces, etc. | History of changes.
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is a turnkey computational docking program that is based on a simple scoring function and rapid gradient-optimization conformational search.
“AutoDock” refers to AutoDock 4, and “Vina” to AutoDock Vina 1. 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).
AutoDock Vina does not require choosing atom types and pre-calculating grid maps for them. Instead, it calculates the grids internally, for the atom types that are needed, and it does this virtually instantly.
Jan 1, 2010 · AutoDock Vina achieves an approximately two orders of magnitude speed-up compared to the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy of the binding mode predictions, judging by our tests on the training set used in AutoDock 4 development.
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is a turnkey computational docking program that is based on a simple scoring function and rapid gradient-optimization conformational search.
AutoDock Vina is a software program widely used in computational biology for the purpose of drug discovery and molecular docking. It is particularly renowned for its speed, accuracy, and ease of use in predicting how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
AutoDock Vina installation in a Conda environment: The Anaconda Python distribution, which can be download from https://docs.continuum.io/anaconda/install . This is a Python distribution specially designed for scientific applications, with many of the most popular scientific packages preinstalled.
AutoDock Vina vina.vina class vina.vina. Vina (sf_name = 'vina', cpu = 0, seed = 0, no_refine = False, verbosity = 1) Bases: object. __init__ (sf_name = 'vina', cpu = 0, seed = 0, no_refine = False, verbosity = 1) Initialize a Vina object. Parameters. sf_name (str) – Scoring function name to use (Vina or ad4) (default: vina)
