Skip to main content
. Author manuscript; available in PMC: 2009 Sep 11.
Published in final edited form as: J Med Chem. 2008 Aug 16;51(17):5297–5303. doi: 10.1021/jm800326q

Fig. 1.

Fig. 1

Flow chart of virtual screening methodology. The final docked binding energy, which consists of the final intermolecular energy of the complex plus the final internal energy of the ligand, was obtained from Autodock3. The average X-Score is an average of three similar scoring functions that calculate hydrophobic contribution differently. The following scoring functions were evaluated in SYBYL (G Score, PMF Score, D Score, and ChemScore), then CSCORE was used to obtain a consensus score.