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Volume 13   Issue 1   Year 2018
Trapping and transport of charges in DNA by mobile discrete breathers

Chetverikov A.P., Sergeev K.S., Lakhno V.D.

Institute of Mathematical Problems of Biology RAS - the Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, Pushchino, Moscow region, Russia
Faculty of Physics, Saratov National Research State University named after N.G.Chernyshevsky, Saratov, Russia
Abstract. Numerical simulation of trapping and transport of a charged particle (electron or hole) by mobile discrete breathes (mobile DB, MDB) in DNA molecule has been provided. Mobile DBs have been excited by disturbance of displacements or velocities of adjacent nucleotide pairs dislocated near one of fixed ends of the molecule. It is shown that effective forming of a stable quasi-particle “MDB + electron” occurs when a few of nucleotide pairs at the end of DNA are excited. Breathes may be excited by disturbances of displacements and velocities directed both to axis and from axis of the molecule. A wave function of an electron must be located initially in a region of disturbance of the molecule. It has been found that a metastable quasi-particle may be transported at a distance up to 200 of a rise per base pair. The mechanism of transport of a charged particle presented is not in need of an external electric field and may be considered as an alternative one to the polaronic mechanism.
Key words: nanobioelectronics, DNA, mobile discrete breathers (MDB), quasi-particles, Peyrard-Bishop-Dauxois-Holstein model.


Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2018.13.1
published in Russian

Abstract (rus.)
Abstract (eng.)
Full text (rus., pdf)
References Translation into English
Math. Biol. Bioinf.
doi: 10.17537/2018.13.t59

Full text (eng., pdf)


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