2023/10/02 by Petra Papež, Franci Merzel, Matej Praprotnik · 1 voice
Physics and Astronomy · Engineering · #Mechanical and Optical Resonators #Spectroscopy and Quantum Chemical Studies #Nanopore and Nanochannel Transport Studies
paper · pdf · doi:10.1063/5.0163801
openalex publication_date 2023/10/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/19
The application of terahertz radiation has been shown to affect both protein structure and cellular function. As the key to such structural changes lies in the dynamic response of a protein, we focus on the susceptibility of the protein's internal dynamics to mechanical stress induced by acoustic pressure waves. We use the open-boundary molecular dynamics method, which allows us to simulate the protein exposed to acoustic waves. By analyzing the dynamic fluctuations of the protein subunits, we demonstrate that the protein is highly susceptible to acoustic waves with frequencies corresponding to those of the internal protein vibrations. This is confirmed by changes in the compactness of the protein structure. As the amplitude of the pressure wave increases, even larger deviations from average positions and larger changes in protein compactness are observed. Furthermore, performing the mode-projection analysis, we show that the breathing-like character of collective modes is enhanced at frequencies corresponding to those used to excite the protein.