autogrid4
pre-calculate binding of ligands to their receptor
Install
- All systems
-
curl cmd.cat/autogrid4.sh
- Debian
-
apt-get install autogrid - Ubuntu
-
apt-get install autogrid - Kali Linux
-
apt-get install autogrid - Fedora
-
dnf install autodocksuite - Windows (WSL2)
-
sudo apt-get updatesudo apt-get install autogrid - Raspbian
-
apt-get install autogrid - Dockerfile
- dockerfile.run/autogrid4
autogrid
pre-calculate binding of ligands to their receptor
The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure. The AutoGrid program performs pre-calculations for the docking of a ligand to a set of grids that describe the effect that the protein has on point charges. The effect of these forces on the ligand is then analysed by the AutoDock program.