[ Bron: autodocksuite ]
Pakket: autodock (4.2.6-5)
Verwijzigingen voor autodock
Trisquel bronnen:
Het bronpakket autodocksuite downloaden:
Beheerder:
Original Maintainers:
- Debian Med Packaging Team (Mailarchief)
- Steffen Moeller
- Nelson A. de Oliveira
- Andreas Tille
- Thorsten Alteholz
Externe bronnen:
- Homepage [autodock.scripps.edu]
Vergelijkbare pakketten:
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.
Andere aan autodock gerelateerde pakketten
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
Ook een virtueel pakket geboden door: libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- dep: libgcc1 (>= 1:3.3.1)
- GCC support library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- sug: autodocktools
- Pakket niet beschikbaar
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- sug: autogrid
- pre-calculate binding of ligands to their receptor