{"id":14,"date":"2018-12-14T00:43:17","date_gmt":"2018-12-14T00:43:17","guid":{"rendered":"https:\/\/ccsb.scripps.edu\/ccsb-3\/?page_id=14"},"modified":"2024-11-15T01:03:21","modified_gmt":"2024-11-15T01:03:21","slug":"autodock-crankpep","status":"publish","type":"page","link":"https:\/\/ccsb.scripps.edu\/autodocksuite\/","title":{"rendered":"Homepage"},"content":{"rendered":"

The AutoDock Suite: Computational Docking of Ligands to Biomolecular Targets<\/h3><\/h3><\/div>

This site does not have downloadable content, but remains open for information purposes. It <\/span>was built as a navigation hub<\/em> for \u2013 <\/span><\/p>\n

AutoDock4.2.6 (last revision: July 2014): <\/b><\/span>https:\/\/autodock.scripps.edu\/<\/a><\/span><\/p>\n

AutoDock Vina v1.1.2 (last revision: May 2011): <\/b><\/span>https:\/\/vina.scripps.edu\/<\/a><\/span><\/p>\n

AutoDockFR (2019\u2013present): <\/b><\/span>https:\/\/ccsb.scripps.edu\/adfr\/<\/a><\/span><\/p>\n

Visit the individual sites to retrieve the<\/span> installation guides and tutorial materials. <\/span><\/p>\n

The AutoDock Suite is being developed through a collaboration of four laboratories in the Center for Computational Structural Biology, under the direction of the Forli Laboratory, with support from the US National Institutes of Health.<\/p>\n

Two latest docking engines developed at the Forli lab are: <\/b><\/p>\n

AutoDock-GPU (2021\u2013present): <\/b>https:\/\/github.com\/ccsb-scripps\/AutoDock-GPU<\/a><\/p>\n

AutoDock Vina v1.2.x (2021\u2013present): <\/b>https:\/\/github.com\/ccsb-scripps\/AutoDock-Vina<\/a><\/p>\n

For the latest developments and information, please visit the linked project Github pages or our new navigation & resource site at https:\/\/rsd3.scripps.edu\/<\/a>.<\/p>\n<\/div>

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What is the AutoDock Suite?<\/h3>\n

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.<\/p>\n

The original engine, AutoDock 1.0, was developed in 1990 by David Goodsell and Arthur Olson. Over the years, it has been constantly improved and modified to add new functionalities and features. The most advanced version of AutoDock is AutoDock4.2.6 (last revision: July 2014). In 2010 a brand new engine, AutoDock Vina, has been added to the Suite. The most advanced version of the legacy AutoDock Vina is Vina v1.1.2 (last revision: May 2011).<\/p>\n

Most of the methods and protocols for protein-ligand docking have been re-implemented with improvements in AutoDock-GPU<\/a> (2021\u2013present) and AutoDock Vina v1.2.x<\/a> (2021\u2013present). <\/b><\/p>\n

Other docking tools have been developed based on the AutoDock4 docking engine, specialized to model peptide ligands and receptor flexibility, such as ADFR<\/a> (2019\u2013present) and ADCP<\/a> (2019\u2013present)<\/span>. <\/span><\/b><\/p>\n<\/div>

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