MOLE 2.0: advanced approach for analysis of biomacromolecular channels
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33145679" target="_blank" >RIV/61989592:15310/13:33145679 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14740/13:00066334
Result on the web
<a href="http://www.jcheminf.com/content/5/1/39" target="_blank" >http://www.jcheminf.com/content/5/1/39</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1186/1758-2946-5-39" target="_blank" >10.1186/1758-2946-5-39</a>
Alternative languages
Result language
angličtina
Original language name
MOLE 2.0: advanced approach for analysis of biomacromolecular channels
Original language description
Background: Channels and pores in biomacromolecules (proteins, nucleic acids and their complexes) play significant biological roles, e. g., in molecular recognition and enzyme substrate specificity. Results: We present an advanced software tool entitledMOLE 2.0, which has been designed to analyze molecular channels and pores. Benchmark tests against other available software tools showed that MOLE 2.0 is by comparison quicker, more robust and more versatile. As a new feature, MOLE 2.0 estimates physicochemical properties of the identified channels, i.e., hydropathy, hydrophobicity, polarity, charge, and mutability. We also assessed the variability in physicochemical properties of eighty X-ray structures of two members of the cytochrome P450 superfamily. Conclusion: Estimated physicochemical properties of the identified channels in the selected biomacromolecules corresponded well with the known functions of the respective channels. Thus, the predicted physicochemical properties may prov
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
CF - Physical chemistry and theoretical chemistry
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>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Cheminformatics
ISSN
1758-2946
e-ISSN
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Volume of the periodical
5
Issue of the periodical within the volume
AUG
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
"39-1"-"39-13"
UT code for WoS article
000324125500001
EID of the result in the Scopus database
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