DAMBORSKÝ, Jiří, Martin PETŘEK, Pavel BANÁŠ and Michal OTYEPKA. Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles. BIOTECHNOLOGY JOURNAL. 2007, vol. 2, No 1, p. 62-67. ISSN 1860-6768.
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Basic information
Original name Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles
Name in Czech Identifikace tunelů v proteinech, nukleových kyselinách, anorganických materiálech a moleklárních částech
Authors DAMBORSKÝ, Jiří (203 Czech Republic, guarantor), Martin PETŘEK (203 Czech Republic), Pavel BANÁŠ (203 Czech Republic) and Michal OTYEPKA (203 Czech Republic).
Edition BIOTECHNOLOGY JOURNAL, 2007, 1860-6768.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10500 1.5. Earth and related environmental sciences
Country of publisher United States of America
Confidentiality degree is not subject to a state or trade secret
WWW URL
RIV identification code RIV/00216224:14310/07:00022384
Organization unit Faculty of Science
Keywords in English structure-function relationships; CAVER; calculations of tunnels;
Tags calculations of tunnels, CAVER, structure-function relationships
Tags International impact, Reviewed
Changed by Changed by: prof. Mgr. Jiří Damborský, Dr., učo 1441. Changed: 17/4/2009 14:51.
Abstract
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.
Abstract (in Czech)
K výpočtům tunelů v biomolekulách byl použit nový program CAVER. V článku jsou popisovány algoritmy vypočtů a význam tunelů v biomolekulách pro jejich chováni v životním prostředí či při biotechnologických aplikacích.
Links
MSM0021622413, plan (intention)Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment
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