Detailed Information on Publication Record
2006
Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles.
DAMBORSKÝ, Jiří, Martin PETŘEK, Pavel BANÁŠ and Michal OTYEPKABasic information
Original name
Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles.
Name in Czech
Identifikace tunelů v proteinech, nukleových kyselin, neorganickém materiálu a molekulárn ích shlucích.
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, 2006, 1860-6768
Other information
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
10404 Polymer science
Country of publisher
United States of America
Confidentiality degree
není předmětem státního či obchodního tajemství
RIV identification code
RIV/00216224:14310/06:00017456
Organization unit
Faculty of Science
Keywords in English
Tunnels; Proteins; Nucleic Acids; Inorganic Materials; Molecular Ensembles
Změněno: 4/11/2006 13:05, prof. Mgr. Jiří Damborský, Dr.
V originále
BACKGROUND. The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, pockets and cavities in dynamic and static protein structures to the outside solvent. RESULTS. The algorithm to perform a skeleton search was based on a reciprocal distance function grid that was developed and implemented for the CAVER program. The program identifies and visualizes routes from the interior of the protein to the bulk solvent. CAVER was primarily developed for proteins, but the algorithm is sufficiently robust to allow the analysis of any molecular system, including nucleic acids or inorganic material. Calculations can be performed using discrete structures from crystallographic analysis and NMR experiments as well as with trajectories from molecular dynamics simulations.
In Czech
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Links
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