套件：autodock（4.2.6-9 以及其他的）

[ 原始碼： 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.

標籤: 領域: 生物學, 結構生物學, 實做語言: implemented-in::c, interface::commandline, 角色: 程式, 範圍: 實用程式, Purpose: use::analysing, works-with-format::TODO, 處理: 3D 模型, 需要一個額外的標籤

其他與 autodock 有關的套件

• dep: libc6 (>= 2.38)

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

• dep: libgcc-s1 (>= 3.3.1)

  GCC 支援函式庫

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• sug: autogrid

  pre-calculate binding of ligands to their receptor

下載 autodock

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
arm64	4.2.6-9+b1	162。2 kB	433。0 kB	[檔案列表]