Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles
Damborský J., Petřek M., Banáš P., Otyepka M.
Biotechnology Journal 2
he knowledge of the access paths connecting interior of molecular systems with surrounding environment is important for the understanding of structurefunction 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 website http://loschmidt.chemi.muni.cz/caver.
Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles,
Biotechnology Journal, 2, 62-67, 2007.