Coarse-Grain Simulations of Skin Ceramide NS with Newly Derived Parameters Clarify Structure of Melted Phase
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33156576" target="_blank" >RIV/61989592:15310/15:33156576 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/full/10.1021/jp5092366" target="_blank" >http://pubs.acs.org/doi/full/10.1021/jp5092366</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp5092366" target="_blank" >10.1021/jp5092366</a>
Alternative languages
Result language
angličtina
Original language name
Coarse-Grain Simulations of Skin Ceramide NS with Newly Derived Parameters Clarify Structure of Melted Phase
Original language description
Ceramides are lipids that are involved in numerous biologically, important structures (e.g., the strafuni comeum and ceramide-rich platforms) and processes (e.g., signal ttankluction and, membrane fusion), but their behavior is not fully understood. We report coarse-grain force, field parameters for N-lignoteryl-sphingosine (cerainide NS, also known as cerainide 2) that are consistent with the Martini force field. These parameterSimere optimized for simulation in the gel phase and validated against atbmistic srpiulations Coarse-grained simulations with our parameters provide areas per lipid, membrane thicknesses, and electron density profiles that are in good agreement with atomistic simulations. Properties of the ulated membranes are compared with available,experiniental,data. The obtained parameters were used to model the phase behavior of,Ceraiiiide NS as a funetion of ternperature and hydration. At low Water content and above the main phase transition temperature, the bilayet, melt
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)
Others
Publication year
2015
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 Physical Chemistry B
ISSN
1520-6106
e-ISSN
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Volume of the periodical
119
Issue of the periodical within the volume
10
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
3988-3998
UT code for WoS article
000351188300012
EID of the result in the Scopus database
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