Internal:GPCD
- Introduction
Cavities are structural features of proteins and they are often important for drug discovery and design. There are different kinds of cavities, including pockets, voids, tunnels, and channels. The types of cavities are listed in more detail in figure 1.
There are several methods for detecting protein cavities. There are sphere based methods, grid based methods, grid-and-sphere based methods, surface based methods, grid-and-surface based methods, time-varying methods, GPU based methods, and finally tessellation based methods. Tessellation based methods mainly rely on Voronoi tessellation. Some methods rely on weighted Voronoi tessellation because of its ability to more accurately represent the volume of atoms. The Voronoi tessellation in these methods is computed from a set of points representing the atomic centers of the underlying protein.