Molecular dynamics simulations of signal transmission through a glycine peptide chain

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.