Skip to main content
. Author manuscript; available in PMC: 2013 Mar 15.
Published in final edited form as: J Phys Chem B. 2012 Mar 2;116(10):3361–3368. doi: 10.1021/jp2111605

Figure 2.

Figure 2

(A) Important distances tracked through MD simulations on the binding structure of the T172R/G173Q mutant-(−)-cocaine complex. The definitions for these distances (C32---S117OG, O33---Y44HH, O33---Y118H, Y44OH---W166NE, S117HG---H287NE, and H287HD---D259OD1/2) are the same as those in Figure 1A. (B) MD-simulated binding structure for the T172R/G173Q mutant-(−)-cocaine complex.