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Balík: autodock (4.2.6-9)

Odkazy pre autodock

autodock

Zdroje Trisquel:

Stiahnuť zdrojový balík autodocksuite:

Správca:

Original Maintainers:

  • Debian Med Packaging Team (Konferencia)
  • Steffen Moeller
  • Andreas Tille
  • Thorsten Alteholz

Externé zdroje:

Podobné balíky:

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.

Ostatné balíky súvisiace s balíkom autodock

  • závisí
  • odporúča
  • navrhuje
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    tiež virtuálny balík poskytovaný balíkom libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1)
    GCC support library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • sug: autogrid
    pre-calculate binding of ligands to their receptor

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