Пакет: autodock-vina (1.2.3-2)

[ Източник: autodock-vina  ]

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

Други пакети, свързани с autodock-vina

• 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
  също и виртуален пакет, предлаган от 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

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