eLxr packages [ bianca ]
[ Paquet source : autodocksuite ]
Paquet : autodock (4.2.6-9 et autres)
Liens pour autodock
Télécharger le paquet source autodocksuite :
Responsables :
Ressources externes :
- Page d'accueil [autodock.scripps.edu]
Paquets similaires :
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.
Autres paquets associés à autodock
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- dep: libc6 (>= 2.29) [amd64]
- GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
- dep: libc6 (>= 2.38) [arm64]
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- dep: libgcc-s1 (>= 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: autogrid
- pre-calculate binding of ligands to their receptor
Télécharger autodock
| Architecture | Version | Taille du paquet | Espace occupé une fois installé | Fichiers |
|---|---|---|---|---|
| amd64 | 4.2.6-9 | 163,5 ko | 411,0 ko | [liste des fichiers] |
| arm64 | 4.2.6-9+b2 | 162,4 ko | 433,0 ko | [liste des fichiers] |