Paketti: autodock (4.2.6-9) [debports]

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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.

Muut pakettiin autodock liittyvät paketit

• dep: libc6.1 (>= 2.33)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6.1-udeb

• dep: libgcc-s1 (>= 4.2)

  GCC:n apukirjasto

• dep: libstdc++6 (>= 5.2)

  GNU standardi C++ -kirjasto, versio 3

• dep: libunwind8

  library to determine the call-chain of a program - runtime

• sug: autogrid

  pre-calculate binding of ligands to their receptor

Imuroi autodock

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
ia64 (epävirallinen siirros)	218.2 kt	788.0 kt	[tiedostoluettelo]