Paket: autodock (4.2.6-6)

[ Kaynak: 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.

Etiketler: Alan: Biyoloji, Yapısal Biyoloji, Geliştirildiği dil: implemented-in::c, interface::commandline, Rol: Program, Kapsam: Yardımcı Araç, Amaç: use::analysing, works-with-format::TODO, Şununla çalışır: 3B Model, Ek etiket gerektiriyor

autodock ile İlgili Diğer Paketler

• dep: libc6 (>= 2.17)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

• dep: libgcc1 (>= 1:3.3.1)

  GCC support library

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• sug: autodocktools

  Paket mevcut değil

• sug: autogrid

  pre-calculate binding of ligands to their receptor

autodock indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
arm64	145,4 kB	358,0 kB	[dosya listesi]