The simulation of bovine serum albumin vibration spectrum in THz domain

摘要

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.