Skip to main content
. Author manuscript; available in PMC: 2012 Jan 24.
Published in final edited form as: J Chem Inf Model. 2010 Nov 30;51(1):69–82. doi: 10.1021/ci100275a

Figure 1.

Figure 1

The correlations between the binding free energies calculated by MM/PBSA and the experimental values for (a) α-thrombin inhibitors, (b) avidin, (c) cytochrome C peroxidase, (d) neuraminidase, (e) P450cam and (f) penicillopepsin.