AutoDock 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.[1] It is used by the FightAIDS@Home and OpenPandemics - COVID-19 projects run at World Community Grid, to search for antivirals against HIV/AIDS and COVID-19.[2] In February 2007, a search of the ISI Citation Index showed more than 1,100 publications had been cited using the primary AutoDock method papers. As of 2009, this number surpassed 1,200.
AutoDock Vina is a successor of AutoDock, significantly improved in terms of accuracy and performance.[3] It is available under the Apache license.
Both AutoDock and Vina are currently maintained by Scripps Research, specifically the Center for Computational Structural Biology (CCSB) led by Dr. Arthur J. Olson[4][5]
AutoDock is widely used and played a role in the development of the first clinically approved HIV-1 integrase inhibitor by Merck & Co.[6][7]
^Sousa SF, Fernandes PA, Ramos MJ (October 2006). "Protein-ligand docking: current status and future challenges". Proteins. 65 (1): 15–26. doi:10.1002/prot.21082. PMID 16862531. S2CID 21569704.
^"We want to stop pandemics in their tracks". IBM. 2020-04-01. Retrieved 2020-04-04.
^Trott O, Olson AJ (January 2010). "AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading". Journal of Computational Chemistry. 31 (2): 455–61. doi:10.1002/jcc.21334. PMC 3041641. PMID 19499576.
^"The Center for Computational Structural Biology". The Center for Computational Structural Biology. 2020-05-15. Retrieved 2020-05-15.
^Goodsell DS, Sanner MF, Olson AJ, Forli S (August 2020). "The AutoDock suite at 30". Protein Science. 30 (1): 31–43. doi:10.1002/pro.3934. PMC 7737764. PMID 32808340.
^Schames JR, Henchman RH, Siegel JS, Sotriffer CA, Ni H, McCammon JA (April 2004). "Discovery of a novel binding trench in HIV integrase". Journal of Medicinal Chemistry. 47 (8): 1879–81. doi:10.1021/jm0341913. PMID 15055986.
(en) - autodock-vina". aur.archlinux.org. Retrieved 2019-05-22. "How to compile autodock as native 64 bit windows application — AutoDock". autodock.scripps...
His work includes the AutoDock and Man Overboard! systems. Autodock was designed in 2010. It was designed to aid the docking of large ships and yachts...
and allows for rank ordering by energetic ensembles in the docking calculations. AutoDock Molecular modelling Comparison of software for molecular mechanics...
for the protein and ligand. Two of the most used docking programs belong to this class: GOLD and AutoDock. Genetic algorithms allow the exploration of a...
reliable results, and using BEDAM and AutoDock together provides better results than using just BEDAM or AutoDock. Microbiome Immunity Project (launched...
commercial and academic alternatives, including Autodock Vina. According to a review from 2017, LeDock was noted for its effectiveness in sampling ligand...
FlexAID has been shown to outperform existing widely used software such as AutoDock Vina and FlexX in the prediction of binding poses. This is particularly...
PMID 20236947. Li H, Leung KS, Wong MH, Ballester PJ (February 2015). "Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction...
ISBN 978-1-904994-45-9. gamesindustry.biz (11 September 2003). "Grand Theft Auto in the dock over JP road killing". The Register. Archived from the original on...
In computing, a docking station or port replicator (hub) or dock provides a simplified way to plug-in a mobile device, such as connect common peripherals...
and structure comparison measure "Molecular docking, estimating free energies of binding, and AutoDock's semi-empirical force field". Sebastian Raschka's...
popisms.com. "The Blue Danube". sweetsoundtrack.com. Elite Dangerous AutoDocking Sequence, retrieved 12 March 2023 Beek, Michael (18 October 2021). "Squid...
GPUs version Ascalaph on GPUs version – Ascalaph Liquid GPU AutoDock – Molecular docking BigDFT Ab initio program based on wavelet BrianQC Quantum chemistry...
design. In particular he is a developer of AutoDock, the most widely-used program used for molecular docking. His main research focus areas are HIV drug...
blur of the shadow. Auto-update. Dock (computing) CNET Editors' review (in German) Anke Anlauf (14 January 2010), Schmucke PC-Docks wie auf dem Mac , Softonic...
Auto III is a 2001 action-adventure game developed by DMA Design and published by Rockstar Games. It is the third main entry in the Grand Theft Auto series...
and opened in a molecular docking software. There are many programs that can facilitate molecular docking such as AutoDock, DOCK, FlexX, HYDRO, LIGPLOT,...
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