In this study, coarse-grained computational simulations of the ubiquitin corona around gold nanoparticles have been carried out, and the effect of the nanoparticle size (10, 16, 20, and 24 nm diameter) and environment (bare nanoparticle surface, and citrate-coated surface, where citrate are treated with implicit and explicit models) has been analysed. The results showed that the corona is obtained after a slow reorientation step that occurs at the nanoparticle surface in order to optimize the nanoparticle–ubiquitins interaction. The ubiquitin binding modalities depend on the nanoparticle environment, while conformational changes of ubiquitins upon binding and their aggregation propensity slightly depend on nanoparticle size.

A closer look into the ubiquitin corona on gold nanoparticles by computational studies / Tavanti, Francesco; Pedone, Alfonso; Menziani, Maria Cristina. - In: NEW JOURNAL OF CHEMISTRY. - ISSN 1144-0546. - ELETTRONICO. - 39:4(2015), pp. 2474-2482. [10.1039/C4NJ01752H]

A closer look into the ubiquitin corona on gold nanoparticles by computational studies

TAVANTI, FRANCESCO;PEDONE, Alfonso;MENZIANI, Maria Cristina
2015

Abstract

In this study, coarse-grained computational simulations of the ubiquitin corona around gold nanoparticles have been carried out, and the effect of the nanoparticle size (10, 16, 20, and 24 nm diameter) and environment (bare nanoparticle surface, and citrate-coated surface, where citrate are treated with implicit and explicit models) has been analysed. The results showed that the corona is obtained after a slow reorientation step that occurs at the nanoparticle surface in order to optimize the nanoparticle–ubiquitins interaction. The ubiquitin binding modalities depend on the nanoparticle environment, while conformational changes of ubiquitins upon binding and their aggregation propensity slightly depend on nanoparticle size.
2015
39
4
2474
2482
A closer look into the ubiquitin corona on gold nanoparticles by computational studies / Tavanti, Francesco; Pedone, Alfonso; Menziani, Maria Cristina. - In: NEW JOURNAL OF CHEMISTRY. - ISSN 1144-0546. - ELETTRONICO. - 39:4(2015), pp. 2474-2482. [10.1039/C4NJ01752H]
Tavanti, Francesco; Pedone, Alfonso; Menziani, Maria Cristina
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1067874
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