Pakket: autodock (4.2.6-9)

[ Bron: 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

Andere aan autodock gerelateerde pakketten

• dep: libc6 (>= 2.29)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

• dep: libgcc-s1 (>= 3.3.1)

  GCC support bibliotheek

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• sug: autogrid

  pre-calculate binding of ligands to their receptor

autodock downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
i386	161,5 kB	411,0 kB	[overzicht]