CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F12%3A00057117" target="_blank" >RIV/00216224:14310/12:00057117 - isvavai.cz</a>
Alternative codes found
RIV/00159816:_____/12:#0000933
Result on the web
<a href="http://dx.doi.org/10.1371/journal.pcbi.1002708" target="_blank" >http://dx.doi.org/10.1371/journal.pcbi.1002708</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1371/journal.pcbi.1002708" target="_blank" >10.1371/journal.pcbi.1002708</a>
Alternative languages
Result language
angličtina
Original language name
CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures
Original language description
Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumentalfor understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilit
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CE - Biochemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PLoS Computational Biology
ISSN
1553-7358
e-ISSN
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Volume of the periodical
8
Issue of the periodical within the volume
10
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
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UT code for WoS article
000310568800009
EID of the result in the Scopus database
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