Paket: autodock-vina (1.2.7-1)

Links für autodock-vina

eLxr Patch-Überblick

Quellcode-Paket autodock-vina herunterladen:

Betreuer:

Externe Ressourcen:

Homepage [vina.scripps.edu]

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

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erweitert

dep: libboost-filesystem1.83.0 (>= 1.83.0)

filesystem operations (portable paths, iteration over directories, etc) in C++
dep: libboost-program-options1.83.0 (>= 1.83.0)

program options library for C++
dep: libboost-thread1.83.0 (>= 1.83.0)

portable C++ multi-threading
dep: libc6 (>= 2.38)

GNU C Library: Shared libraries
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
dep: libgcc-s1 (>= 3.3.1)

GCC support library
dep: libstdc++6 (>= 14)

GNU Standard C++ Library v3

sug: autodock

analysis of ligand binding to protein structure
sug: autogrid

pre-calculate binding of ligands to their receptor

autodock-vina herunterladen

Download für alle verfügbaren Architekturen
Architektur	Paketgröße	Größe (installiert)	Dateien
amd64	266,4 kB	700,0 kB	[Liste der Dateien]
arm64	237,1 kB	660,0 kB	[Liste der Dateien]