Paket: autodock (4.2.6-9)

[ Källkod: 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.

Märken: Field: Biologi, Structural Biology, Implemented in: implemented-in::c, interface::commandline, Role: Program, Scope: Utility, Purpose: use::analysing, works-with-format::TODO, Works with: 3D Model, Behöver ett märke till

Andra paket besläktade med autodock

• dep: libc6 (>= 2.29)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libgcc-s1 (>= 3.4.4)

  GCC stödbibliotek

• dep: libstdc++6 (>= 5.2)

  GNU standardbibliotek v3 för C++

• sug: autogrid

  pre-calculate binding of ligands to their receptor

Hämta autodock

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Paketstorlek	Installerad storlek	Filer
ppc64el	164,4 kbyte	435,0 kbyte	[filförteckning]