autodock - 4.2.6-6 main

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.
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The AutoDock program performs the docking of the ligand to a set of
grids describing the target protein. AutoGrid pre-calculates these grids.