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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Bio-nano Interfaces and Engineering Applications Symposium
Presentation Title Computational Study of Selective Adsorption of Peptides on MoS2 Surface
Author(s) Maral Aminpour, Niloofar Nayebi, Sibel Cetinel, Carlo Montemagno
On-Site Speaker (Planned) Maral Aminpour
Abstract Scope In this study, we aim to separate out valuable rare metals from the mixtures by designing peptides with specific recognition ability to bind to individual metals as smart biomaterials. Phage display combinational technology is used to engineer materials by selecting a highly competitive peptide binder among a population of billions. The positive output of the experimental work motivated us to investigate and study the microscopic mechanism of binding of experimentally selected adhesion peptides on MoS<SUB>2</SUB> surfaces by means of molecular dynamics calculations, paving the way to engineering peptide sequences with enhanced affinity to a given surface. To our knowledge, the presented computational work reveals for the first time the interactions of the peptide with MoS<SUB>2</SUB> surface and can play an important role to gain insight in to the interaction mechanism between peptide and the surface to finely tune the biomolecule specificity toward a desired binder.
Proceedings Inclusion? Planned: Publication Outside of TMS (Indicate publication title and publisher if known.)


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