Title :
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
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;
Conference_Titel :
Advances in Biomedical Engineering (ICABME), 2013 2nd International Conference on
Conference_Location :
Tripoli
Print_ISBN :
978-1-4799-0249-1
DOI :
10.1109/ICABME.2013.6648867
