Skip to main content
. Author manuscript; available in PMC: 2011 Sep 6.
Published in final edited form as: Chem Biol Interact. 2010 May 4;187(1-3):241–245. doi: 10.1016/j.cbi.2010.04.004

Figure 1.

Figure 1

Orientations of the catalytic triad and its surroundings for different time points during the two independent MD simulation trajectories for wild-type BuChE. In these figures, τ = 0 ns is the time when the temperature of the system has been raised from 0 to 300K, and then atoms were allowed to relax. Therefore the upper and lower left panels do not have the same initial geometry at τ = 0 ns.