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Figure 3
A two-dimensional schematic of a crystal unit cell with a simplified Voronoi channel graph. Blue objects are proteins with a ligand in a binding site. The double arrows mark bottleneck positions. Bottleneck a with radius ra defines the space visualized in dark yellow that a sphere of radius ra or smaller can reach. Bottleneck b has radius rb. It defines the space marked in light yellow. Since rb < ra, a sphere of radius rb can also be placed in all of the dark yellow space. The white space cannot be reached by either of the two spheres but may potentially be reached by smaller spheres. A typical unit-cell Voronoi diagram consists of thousands of edges and vertices. The exact number can optionally be reported in the output.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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