Abstract
This review presents the results of atomistic molecular dynamic simulation during the adsorption of hybrid molecules, which are co-oligomers of thiophene and peptide (biomimetic) segments. A surface of highly ordered pyrolitic graphite (HOPG) is used as an adsorbent. The processes of self-organization are investigated as a function of the temperature and adsorption intensity for two types of hybrids, such as diblock and triblock cooligomers (with a central thiophene block). The structure of the formed adsorption layers is studied in detail. In the self-organizing associates, the emergence of possible π stacking in the thiophene segment is considered. The motifs of the secondary structure in the peptide blocks and their evolution with increasing adsorption intensity are examined.
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