AutoDock
WebAutoDock is a suite of automated docking tools. 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.
Download AutoDock4 – AutoDock
WebThis page provides the downloads for the stable AutoDock4 version (v4.2.6) but we encourage users to use the newer version AutoDock GPU, which includes many bug fixes and new features. To download the graphical user …
Molecular docking for Beginners | Autodock Full Tutorial ...
WebJul 7, 2020 · The molecular docking approach can be used to investigate interaction between a small molecule and a protein at the atomic level, which allow us to understan...
AutoDock Suite
WebWhat is the AutoDock Suite? The AutoDock Suite is a growing collection of methods for computational docking and virtual screening, for use in structure-based drug discovery and exploration of the basic mechanisms of biomolecular structure and function.
Computational protein–ligand docking and virtual drug ... - Nature
WebApr 14, 2016 · AutoDock is a suite of free open-source software for the computational docking and virtual screening of small molecules to macromolecular receptors.
AutoDock - Wikipedia
WebAutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU General Public License. AutoDock is one of the most cited docking software applications in the research community.
Documentation – AutoDock
WebUser manuals AutoDock 3.0.5 User Guide (PDF) AutoDock 4.2.6 User Guide (PDF) Frequently-Asked-Questions (FAQ) How to add new atom types to the AutoDock force field
Docking with AutoDock4 | SpringerLink
WebAug 27, 2019 · AutoDock is one of the most popular receptor-ligand docking simulation programs. It was first released in the early 1990s and is in continuous development and adapted to specific protein targets. AutoDock has …
AutoDock4 – AutoDock Suite
WebAutoDock4 is a core element of the AutoDock suite of free open source software for the computational docking and virtual screening of small molecules to macromolecular receptors. AutoDock is being developed and maintained in the Forli Laboratory, with support from the US National Institutes of Health.
Docking with AutoDock4 - PubMed
WebAutoDock4.2.6 has an arsenal of four search algorithms to carry out docking simulation including simulated annealing, genetic algorithm, and Lamarckian algorithm. In this chapter, we describe a tutorial about how to perform docking with AutoDock4.
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