Cosenza, Chiara (2014) Molecular simulations of biomolecules-inorganic interactions for hybrid material design. [Tesi di dottorato]
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| Item Type: | Tesi di dottorato |
|---|---|
| Resource language: | English |
| Title: | Molecular simulations of biomolecules-inorganic interactions for hybrid material design |
| Creators: | Creators Email Cosenza, Chiara chiara.cosenza@unina.it |
| Date: | 31 March 2014 |
| Number of Pages: | 83 |
| Institution: | Università degli Studi di Napoli Federico II |
| Department: | Ingegneria Chimica, dei Materiali e della Produzione Industriale |
| Scuola di dottorato: | Ingegneria industriale |
| Dottorato: | Ingegneria dei materiali e delle strutture |
| Ciclo di dottorato: | 26 |
| Coordinatore del Corso di dottorato: | nome email Mensitieri, Giuseppe mensitie@unina.it |
| Tutor: | nome email Netti, Paolo Antonio UNSPECIFIED Causa, Filippo UNSPECIFIED |
| Date: | 31 March 2014 |
| Number of Pages: | 83 |
| Keywords: | surface bio-activation, gold-binding peptides |
| Settori scientifico-disciplinari del MIUR: | Area 09 - Ingegneria industriale e dell'informazione > ING-IND/22 - Scienza e tecnologia dei materiali |
| Aree tematiche (7° programma Quadro): | NANOSCIENZE, NANOTECNOLOGIE, MATERIALE E PRODUZIONE > Nanoscienze e Nanotecnologie NANOSCIENZE, NANOTECNOLOGIE, MATERIALE E PRODUZIONE > Materiali |
| Date Deposited: | 13 Apr 2014 12:17 |
| Last Modified: | 17 May 2017 01:00 |
| URI: | http://www.fedoa.unina.it/id/eprint/9912 |
Collection description
The adsorption of proteins to bio-material surfaces strongly affects the cellular response and consequently plays a key role in the bio-compatibility of medical implants. In order to define design criteria to promote surface bio-activation of metal surfaces we employed molecular simulations of different protein sequences. We have studied the conformational behavior of a previously selected gold-binding peptide on gold surface, alone and in conjugation with cell binding motifs, via molecular dynamics simulations. We found the conjugation of the peptide with the cell ligand sequence IKVAV offers the possibility to employ non covalent binding moieties to promote surface bio-activation of gold. This in silico approach could represent a tool to screen other sequences and characterize their adsorption to promote bio-activation not only of gold but also of other metal surfaces.
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