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[ 源代码: autodocksuite  ]

软件包:autogrid(4.2.6-9)

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pre-calculate binding of ligands to their receptor

The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure.

The AutoGrid program performs pre-calculations for the docking of a ligand to a set of grids that describe the effect that the protein has on point charges. The effect of these forces on the ligand is then analysed by the AutoDock program.

标签: 领域: 生物学, 结构生物学, 实做语言: implemented-in::c++, interface::commandline, 角色: 程序, 范围: 实用程序, Purpose: use::analysing, works-with-format::TODO, 处理: 3D 模型

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s390x 44.1 kB102.0 kB [文件列表]