Binder non-binder discrimination by scoring energies.

<p>Best scoring results for docking of true, foreign and non-binders upon docking to 7 different rigid receptor structures and using flexible receptor docking (using interpolation between the 7 receptor structures). The dotted line marks the best binding energy obtained for the non-binder molecules (corresponds to the limit for distinguishing binders from non-binders). The cross symbols indicate the results of flexible receptor docking and are included for comparison for each docking to a rigid protease receptor (upper 7 rows). The O symbols are present at the bottom of each bar, if the respective best energy docking solution also yields an RMSD_ligand <2Å.