Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles
Authors
Damborsky, J., Petrek, M., Banas, P., Otyepka, M.
Source
BIOTECHNOLOGY JOURNAL 2: 62-67 (2007)
Abstract
The knowledge of the access paths connecting interior of molecular systems with surrounding environment is important for understanding of structure-function relationships and engineering of molecules for biotechnological applications. CAVER is a computer program developed for calculations of tunnels, channels or pores in the biomolecules, inorganic materials and molecular ensembles. The algorithm performs a skeleton search based on a reciprocal distance function grid. The algorithm is implemented in the stand-alone version, web version and as plug-in for PyMol. CAVER is available from the web site http://loschmidt.chemi.muni.cz/caver.