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.

Full text

Citation

Damborsky, J., Petrek, M., Banas, P., Otyepka, M., 2007: Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles. Biotechnology Journal 2: 62-67.

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