Ab initio simulation of dynamic and quantum properties of biomolecular structures

Author

Nelayev, Vladislav ; Shelibak, Ibrahim ; Bleblu, Mariam ; Barkaline, Viatcheslav

Author_Institution

Micro- & Nanoelectron. Dept., Belarusian State Univ. of Inf. & Radioelectron., Minsk, Belarus

fYear

2013

fDate

11-13 Sept. 2013

Firstpage

141

Lastpage

144

Abstract

Interaction of carbon nanotube arrays with DNA molecules leads to strong chemomechanical effect followed by array deformation. Such hybrid systems can be used as sensing element of nanobiosensors with acoustic pickup. Simulation approaches to such system development is discussed. Results of quantum effects simulation in membrane protein rhodopsin are presented. Important role of the retinal environment and retinal-rhodopsin interactions is revealed. The possibility of rhodopsin use in quantum computation is concluded and dynamics of critical processes is discussed.

Keywords

DNA; ab initio calculations; biosensors; carbon nanotubes; molecular configurations; nanosensors; proteins; Ab initio simulation; DNA molecule; acoustic pickup; array deformation; biomolecular structure dynamic properties; biomolecular structure quantum properties; carbon nanotube array interaction; chemomechanical effect; membrane protein rhodopsin; nanobiosensor sensing element; quantum computation; retinal environment; retinal-rhodopsin interaction; Carbon nanotubes; Computational modeling; DNA; Proteins; Quantum computing; Retina; Surface acoustic waves; DNA; ab initio simulation; carbon nanotubes; hybrid systems; molecular dynamics; nanobiosensors; protein-rhodopsin system; quantum mechanics;

fLanguage

English

Publisher

ieee

Conference_Titel

Advances in Biomedical Engineering (ICABME), 2013 2nd International Conference on

Conference_Location

Tripoli

Print_ISBN

978-1-4799-0249-1

Type

conf

DOI

10.1109/ICABME.2013.6648867

Filename

6648867