Mucin Aggregation from a Rod-like Meso-Scale Model

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F15%3A00445895" target="_blank" >RIV/67985858:_____/15:00445895 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/15:43886693

Výsledek na webu

<a href="http://dx.doi.org/10.1080/00268976.2015.1023750" target="_blank" >http://dx.doi.org/10.1080/00268976.2015.1023750</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00268976.2015.1023750" target="_blank" >10.1080/00268976.2015.1023750</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Mucin Aggregation from a Rod-like Meso-Scale Model

Popis výsledku v původním jazyce

Dissipative particle dynamics, a meso?scale particle-based model, was used to study the aggregation of mucins in aqueous solutions. Concentration, strength of the mucin?water interactions, as well as the effects of size, shape, and composition of the model molecules were studied. Model proteins were represented as rod-like objects formed by coarse-grained beads. In the first model, only one type of beads formed the mucin. It was found that all the surfaces were available to form aggregates and the conformation of the aggregates was a function of the strength of the mucin?water interaction. With this model, the number of aggregates was unaffected by the initial position of the mucins in the simulation box, except for the lowest mucin concentration. In amore refined mucin model, two kinds of beads were used in the molecule in order to represent the existence of cysteine-like terminal groups in the actual molecule. With this new scheme, aggregation took place by the interaction of the te

Název v anglickém jazyce

Mucin Aggregation from a Rod-like Meso-Scale Model

Popis výsledku anglicky

Dissipative particle dynamics, a meso?scale particle-based model, was used to study the aggregation of mucins in aqueous solutions. Concentration, strength of the mucin?water interactions, as well as the effects of size, shape, and composition of the model molecules were studied. Model proteins were represented as rod-like objects formed by coarse-grained beads. In the first model, only one type of beads formed the mucin. It was found that all the surfaces were available to form aggregates and the conformation of the aggregates was a function of the strength of the mucin?water interaction. With this model, the number of aggregates was unaffected by the initial position of the mucins in the simulation box, except for the lowest mucin concentration. In amore refined mucin model, two kinds of beads were used in the molecule in order to represent the existence of cysteine-like terminal groups in the actual molecule. With this new scheme, aggregation took place by the interaction of the te

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Molecular Physics

ISSN

0026-8976

e-ISSN

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Svazek periodika

113

Číslo periodika v rámci svazku

9-10

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

898-909

Kód UT WoS článku

000354790400002

EID výsledku v databázi Scopus

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