Sub-THz acoustic excitation of protein motion

Papež, Petra (avtor), Merzel, Franci (avtor), Praprotnik, Matej (avtor)

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.

• Jezik: Angleški jezik
• Ključne besede: molecular dynamics, acoustical properties, acoustic wave propagation, mechanical stress, terahertz radiation, proteins
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FMF - Fakulteta za matematiko in fiziko
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2023
• Št. strani: 8 str.
• Številčenje: Vol. 159, iss. 13, art. 135101
• PID: 20.500.12556/RUL-164665
• UDK: 577
• ISSN pri članku: 1089-7690
• DOI: 10.1063/5.0163801
• COBISS.SI-ID: 170525187
• Datum objave v RUL: 06.11.2024

Gradivo je del revije

• Naslov: Journal of chemical physics
• Skrajšan naslov: J. chem. phys. online
• Založnik: AIP Publishing
• ISSN: 1089-7690
• COBISS.SI-ID: 18985767

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: biokemija, proteini, beljakovine, simulacije, akustika, frekvence