软件包：autodock（4.2.6-9）

[ 源代码： autodocksuite  ]

analysis of ligand binding to protein structure

AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.

The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.

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, 需要一个额外的标签

其他与 autodock 有关的软件包

• dep: libc6 (>= 2.29)

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

• dep: libgcc-s1 (>= 3.5)

  GCC 支持库

• dep: libstdc++6 (>= 5.2)

  GNU 标准 C++ 库，第3版

• sug: autogrid

  pre-calculate binding of ligands to their receptor

下载 autodock

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
armhf	151.7 kB	315.0 kB	[文件列表]