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[ 源代码: autodock-vina  ]

软件包: autodock-vina (1.1.2-5build3)

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

其他与 autodock-vina 有关的软件包

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  • sug: autodock
    analysis of ligand binding to protein structure
  • sug: autogrid
    pre-calculate binding of ligands to their receptor

下载 autodock-vina

下载可用于所有硬件架构的
硬件架构 软件包大小 安装后大小 文件
amd64 243.9 kB653 kB [文件列表]
armhf 217.7 kB447 kB [文件列表]