Binary package “autogrid” in ubuntu noble
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.
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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.