vina

docking of small molecules to proteins

Install

All systems
curl cmd.cat/vina.sh
Debian Debian
apt-get install autodock-vina
Ubuntu
apt-get install autodock-vina
image/svg+xml Kali Linux
apt-get install autodock-vina
Windows (WSL2)
sudo apt-get update sudo apt-get install autodock-vina
Raspbian
apt-get install autodock-vina
Dockerfile
dockerfile.run/vina

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