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[ Source: autodock-vina  ]

Пакунок: autodock-vina (1.1.2-2 and others)

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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

Tags: Field: Biology, Structural Biology, User Interface: interface::x11, role::program, Works with: 3D Model, X Window System: Application

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armhf 1.1.2-2+b1 251.2 kB506.0 kB [список файлів]