Balík: autodock (4.2.6-9 a iné)

[ Zdroj: 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.

Značky: Pole: Biológia, Structural Biology, Implementované v: implemented-in::c, interface::commandline, Role: Program, Scope: Utility, Purpose: use::analysing, works-with-format::TODO, Works with: 3D model, Need an extra tag

Ostatné balíky súvisiace s balíkom autodock

• dep: libc6 (>= 2.38)

  knižnica GNU C - zdieľané knižnice
  tiež virtuálny balík poskytovaný balíkom libc6-udeb

• dep: libgcc-s1 (>= 3.3.1)

  podporná knižnica GCC

• dep: libstdc++6 (>= 5.2)

  štandardná knižnica C++ GNU v3

• sug: autogrid

  pre-calculate binding of ligands to their receptor

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Architektúra	Verzia	Veľkosť balíka	Nainštalovaná veľkosť	Súbory
arm64	4.2.6-9+b1	162.2 kB	433.0 kB	[zoznam súborov]