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Modelling the effect of the peptide sequence on the binding affinity to carbon nanotubes

Modelling the effect of the peptide sequence on the binding affinity to carbon nanotubes . Susana De Tomasio , University of Warwick Carbon nanotubes (CNTs) have promising applications in the fields of nanotechnology and medicine but problems with

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Modelling the effect of the peptide sequence on the binding affinity to carbon nanotubes

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  1. Modelling the effect of the peptide sequence on the binding affinity to carbon nanotubes • Susana De Tomasio, University of Warwick • Carbon nanotubes (CNTs) have promising applications in the fields of nanotechnology and medicine but problems with extreme hydrophobicity and lack of dispersion • The ability of biomolecules, such as peptides, to non-covalently bind to CNTs gives rise to new expectations for its selective dispersion and manipulationbut the nature of the peptide-CNT interaction is not yet fully understood. • Purpose of the research was to better understand how the order of the residues in a peptide affects interactions with a CNT • Performed modelling simulations using TINKER which was installed at the Leeds NGS site • Found that the binding affinity to CNTs is strongly dependent on the order of the content of the peptide sequences. Represent a first step in the identification of the rules of design for peptide-CNT interfaces. • “The biggest advantage of using NGS is that we can submit several jobs simultaneously”

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