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The simulation of bovine serum albumin vibration spectrum in THz domain

M. MERNEA1, O. CALBOREAN1, M. P. DINCA2, A. LECA3, D. APOSTOL3, T. DASCALU3, D. MIHAILESCU1,*

Affiliation

  1. University of Bucharest, Faculty of Biology
  2. University of Bucharest, Faculty of Physics
  3. National Institute for Laser, Plasma and Radiation Physics

Abstract

Biomolecules have distinct signatures in THz spectral region. Here we reconstructed the THz theoretical spectrum of hydrated bovine serum albumin (BSA), a protein with unknown 3D structure. The THz spectrum of dry BSA was simulated using a 3D model of the protein. THz theoretical spectra of water were calculated using four water models. By adding the dry BSA and water theoretical spectra we obtained a good correlation with the experimental data that were recorded on a 10% w/w BSA solution..

Keywords

THz spectroscopy, Normal modes analysis, Molecular dynamics, Spectra simulation; modelling.

Submitted at: Dec. 15, 2009
Accepted at: Jan. 20, 2010

Citation

M. MERNEA, O. CALBOREAN, M. P. DINCA, A. LECA, D. APOSTOL, T. DASCALU, D. MIHAILESCU, The simulation of bovine serum albumin vibration spectrum in THz domain, Journal of Optoelectronics and Advanced Materials Vol. 12, Iss. 1, pp. 135-140 (2010)