Paquet : autodock-vina (1.2.3-2)

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Télécharger le paquet source autodock-vina :

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Ressources externes :

Page d'accueil [vina.scripps.edu]

Paquets similaires :

docking of small molecules to proteins

AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.

The same institute also developed autodock, which is widely used.

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

Autres paquets associés à autodock-vina

dépendances

recommandations

suggestions

enhances

dep: libboost-filesystem1.74.0 (>= 1.74.0)

filesystem operations (portable paths, iteration over directories, etc) in C++
dep: libboost-program-options1.74.0 (>= 1.74.0)

program options library for C++
dep: libboost-thread1.74.0 (>= 1.74.0)

portable C++ multi-threading
dep: libc6 (>= 2.33)

GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
dep: libgcc-s1 (>= 3.3.1)

GCC support library
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3

sug: autodock

analysis of ligand binding to protein structure
sug: autogrid

pre-calculate binding of ligands to their receptor

Télécharger autodock-vina

Télécharger pour toutes les architectures proposées
Architecture	Taille du paquet	Espace occupé une fois installé	Fichiers
amd64	254,6 ko	685,0 ko	[liste des fichiers]
arm64	229,3 ko	621,0 ko	[liste des fichiers]