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We have performed a comparative assessment of several programs for flexible molecular docking: DOCK 4.0, FlexX 1.8, AutoDock 3.0, GOLD 1.2 and ICM 2.8. This was accomplished using two different studies: docking experiments on a data set of 37 protein–ligand complexes and screening a library containing 10,037 entries against 11 different proteins. The docking accuracy of the methods was judged based...
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