vina_split
docking of small molecules to proteins
Install
- All systems
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curl cmd.cat/vina_split.sh
- Debian
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apt-get install autodock-vina - Ubuntu
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apt-get install autodock-vina - Kali Linux
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apt-get install autodock-vina - Windows (WSL2)
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sudo apt-get updatesudo apt-get install autodock-vina - Raspbian
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apt-get install autodock-vina - Dockerfile
- dockerfile.run/vina_split
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