Figure 2.

Time course of the approach to equilibrium Δ_eq as determined from the RMSD to the Boltzmann distributions over the experimentally accessible radial range of an AUC sample cell. The traces shown correspond to the simulations in Fig. 1 for conventional SE (black), the unconstrained toSE optimization (cyan), and the optimized toSE conditions with overconcentration constraints (green and orange, respectively). To illustrate an additional consideration of toSE optimization, the dotted line shows the time course for a suboptimal rotor-speed sequence that generates distributions with only transient similarity to the expected equilibrium, a condition that is automatically recognized from the minimum at intermediate times and penalized in the toSE optimization. To see this figure in color, go online.