Package: autodock (4.2.6-9)

[ Source: 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.

Tags: Field: Biology, Structural Biology, Implemented in: implemented-in::c, interface::commandline, Role: Program, Scope: Utility, Purpose: use::analysing, works-with-format::TODO, Works with: 3D Model, Need an extra tag

Other Packages Related to autodock

• dep: libc6 (>= 2.29)

  GNU C könyvtár: megosztott könyvtárak
  also a virtual package provided by libc6-udeb

• dep: libgcc-s1 (>= 3.3.1)

  GCC támogató programkönyvtár

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• sug: autogrid

  pre-calculate binding of ligands to their receptor

Download autodock

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Architecture	Package Size	Installed Size	Files
i386	161.5 kB	411.0 kB	[list of files]