![]() In addition to using them for docking, the atomic affinity grids can be visualised. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code.ĪutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein autogrid pre-calculates these grids. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed.Ĭurrent distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. What is AutoDock?ĪutoDock is a suite of automated docking tools. ![]() AutoDock is the original engine the AutoDock Suite.
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