Molecular dynamics simulations of signal transmission through a glycine peptide chain. Academic Article

abstract

• The injection of finite duration vibrational signals encoding information into a biomolecular wire of the polypeptide glycine1000 is investigated theoretically using molecular dynamics simulations and digital signal processing techniques. We demonstrate that the amplitude modulated signal applied to one of the C-N bonds of the molecule transmits in the two directions through the long polypeptide molecule, which is connected to gold clusters at each of its ends. A decay of the signal propagation speed is observed along with intensity decay. On the other hand, the molecular dynamics simulations show that signal transmission is completely achievable at room temperature, thus realistic transmission of signals through linear molecules can be performed.

authors

• Seminario, Jorge

published proceedings

• J Chem Phys

author list (cited authors)

• Miao, L., & Seminario, J. M.

citation count

• 11

complete list of authors

• Miao, Ling||Seminario, Jorge M

publication date

• October 2007

publisher

• AIP Publishing  Publisher

published in

• Journal of Chemical Physics  Journal

keywords

• Computer Simulation
• Glycine
• Gold
• Models, Chemical
• Models, Molecular
• Peptides
• Vibration

PubMed Central ID

• 17919044

Digital Object Identifier (DOI)

• 10.1063/1.2786078

start page

• 134708

end page

• 134708

volume

• 127

issue

• 13

URL

• http://dx.doi.org/10.1063/1.2786078