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. Author manuscript; available in PMC: 2009 Dec 11.
Published in final edited form as: J Med Chem. 2008 Dec 11;51(23):7396–7404. doi: 10.1021/jm800229d

Figure 2.

Figure 2

Molecular weight distribution histograms of the top scoring compounds after normalization of docking energies. (A) Distributions of the top 50,000 compounds after primary docking. (B) Distributions of the top 1000 compounds after secondary docking. Scoring is based on the normalized interaction energy IEnorm, which is calculated as IE/Nx , where N is the number of non-hydrogen atoms in each ligand and x is an exponent of N and ranges from 0 (no normalization) to 1 (full normalization).