autodock4
analysis of ligand binding to protein structure
Install
- All systems
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curl cmd.cat/autodock4.sh
- Debian
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apt-get install autodock - Ubuntu
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apt-get install autodock - Kali Linux
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apt-get install autodock - Fedora
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dnf install autodocksuite - Windows (WSL2)
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sudo apt-get updatesudo apt-get install autodock - Raspbian
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apt-get install autodock - Dockerfile
- dockerfile.run/autodock4
autodock
analysis of ligand binding to protein structure
AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account. The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.