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    Study of Biomolecules Imaging Using Molecular Dynamics Simulations

    , Article Nano ; Volume 10, Issue 7 , October , 2015 ; 17932920 (ISSN) Kheirodin, M ; Nejat Pishkenari, H ; Moosavi, A ; Meghdari, A ; Sharif University of Technology
    World Scientific Publishing Co. Pte Ltd  2015
    Abstract
    The process of imaging a biomolecule by atomic force microscope (AFM) is modeled using molecular dynamics (MD) simulations. Since the large normal force exerted by the tip on the biosample in contact and tapping modes may damage the sample structure and produce irreversible deformation, the noncontact mode of AFM (NC-AFM) is employed as the operating mode. The biosample is scanned using a carbon nanotube (CNT) as the AFM probe. CNTs because of their small diameter, high aspect ratio and high mechanical resistance attract many attentions for imaging purposes. The tip-sample interaction is simulated by the MD method. The protein, which has been considered as the biomolecule, is ubiquitin and a...