Figure 2.

Four pathways were found for benzene exit from the buried binding site in T4 lysozyme. Blue (a), orange (b), pink (c), and cyan (d) colors show benzene positions sampled during one WE simulation. Each color represents a different exit pathway. The benzene position in the crystal structure is shown in red sticks. Only the T4L C-terminal domain is shown, but the complete protein was used in all simulations. To see this figure in color, go online.