Detection of Channels

Abstract

Channels are ligand-accessible pathways inside a biomacromolecular structure. These empty voids inside a structure are composed of the surrounding residues, and as such can be viewed as a form of pattern. Importantly, they create a specific physicochemical environment, crucial in certain biological processes, such as drug metabolism, homeostasis, or cell-cell interactions. In this chapter, the topic of empty biomacromolecular voids is introduced, with the emphasis on channels. Additionally, a few biologically important phenomena driven by channels are drafted. Furthermore, an overview of tools for channel detection is provided with special emphasis on one of them - MOLE. Finally, the chapter is supplemented with exercises on channel identification.