AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective

Tunnels, pores, channels, pockets and cavities contribute to proteins architecture and performance. However, analysis and characteristics of transportation pathways and internal binding cavities are performed separately. We aimed to provide universal tool for analysis of proteins integral interior with access to detailed information on the ligands transportation phenomena and binding preferences.AQUA-DUCT version 1.0 is a comprehensive method...