Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles

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Authors	DAMBORSKÝ Jiří PETŘEK Martin BANÁŠ Pavel OTYEPKA Michal
Year of publication	2007
Type	Article in Periodical
Magazine / Source	BIOTECHNOLOGY JOURNAL
MU Faculty or unit	Faculty of Science
Citation
Web	http://loschmidt.chemi.muni.cz/peg/abstracts/btj07a.html
Field	Geology and mineralogy
Keywords	structure-function relationships; CAVER; calculations of tunnels;
Description	he 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.
Related projects:	Proteins in metabolism and interaction of organisms with the environment