Skip to main content
. Author manuscript; available in PMC: 2012 Oct 24.
Published in final edited form as: Chem Biol Drug Des. 2008 Mar 31;71(5):387–407. doi: 10.1111/j.1747-0285.2008.00659.x

Figure 8.

Figure 8

Broad specificity-optimized charges for ritonavir binding to a target ensemble comprised of three classes: wild-type, V82A mutant (1X), and I63P/V82T/I84V mutant (3X). Colors are as described in Figure 4. The net specificity gain is computed to be 17.0 kcal/mol for this charge distribution.