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AutoDock Vina is an open-source program for doing molecular docking. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab (now CCSB) at The Scripps Research Institute.
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 Vina inherits some of the ideas and approaches of AutoDock 4, such as treating docking as a stochastic global opimization of the scoring function, precalculating grid maps (Vina does that internally), and some other implementation tricks, such as precalculating the interaction between every atom type pair at every distance.
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.
For this tutorial, all the basic material are provided and can be found in the AutoDock-Vina/example/basic_docking/data directory (or on GitHub ). If you ever feel lost, you can always take a look at the solution here: AutoDock-Vina/example/basic_docking/solution.
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 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 (Vina) is one of the docking engines in the AutoDock Suite, together with AutoDock4 (AD4), AutoDockGPU, AutoDockFR, and AutoDock-CrankPep, and arguably among the most widely used and successful docking engines.
Jul 19, 2021 · AutoDock Vina is arguably one of the fastest and most widely used open-source programs for molecular docking. However, compared to other programs in the AutoDock Suite, it lacks support for modeling specific features such as macrocycles or explicit water molecules.
