A multiscale molecular dynamics simulation study has been carried out in order to provide in-depth information on the adsorption of hemoglobin, myoglobin, and trypsin over citrate-capped AuNPs of 15 nm diameter. In particular, determinants for single proteins adsorption and simultaneous adsorption of the three types of proteins considered have been studied by Coarse-Grained and Meso-Scale molecular simulations, respectively. The results, discussed in the light of the controversial experimental data reported in the current experimental literature, have provided a detailed description of the (i) recognition process, (ii) number of proteins involved in the early stages of corona formation, (iii) protein competition for AuNP adsorption, (iv) interaction modalities between AuNP and protein binding sites, and (v) protein structural preservation and alteration.
Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles / Tavanti, F.; Pedone, A.; Menziani, M. C.. - In: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. - ISSN 1661-6596. - 20:14(2019), pp. 3539-3552.
Data di pubblicazione: | 2019 |
Titolo: | Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles |
Autore/i: | Tavanti, F.; Pedone, A.; Menziani, M. C. |
Autore/i UNIMORE: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.3390/ijms20143539 |
Rivista: | |
Volume: | 20 |
Fascicolo: | 14 |
Pagina iniziale: | 3539 |
Pagina finale: | 3552 |
Codice identificativo ISI: | WOS:000480449300163 |
Codice identificativo Scopus: | 2-s2.0-85071862544 |
Codice identificativo Pubmed: | 31331044 |
Citazione: | Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles / Tavanti, F.; Pedone, A.; Menziani, M. C.. - In: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. - ISSN 1661-6596. - 20:14(2019), pp. 3539-3552. |
Tipologia | Articolo su rivista |
File in questo prodotto:
File | Descrizione | Tipologia | |
---|---|---|---|
art110.pdf | Versione dell'editore (versione pubblicata) | Open Access Visualizza/Apri |

I documenti presenti in Iris Unimore sono rilasciati con licenza Creative Commons Attribuzione - Non commerciale - Non opere derivate 3.0 Italia, salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris