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[ Source: autodock-vina  ]

Package: autodock-vina (1.2.3-2)

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docking of small molecules to proteins

AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.

The same institute also developed autodock, which is widely used.

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

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Download autodock-vina

Download for all available architectures
Architecture Package Size Installed Size Files
armel 223.7 kB599.0 kB [list of files]