20.500.12556/RUL-164665 Sub-THz acoustic excitation of protein motion 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. molecular dynamics acoustical properties acoustic wave propagation mechanical stress terahertz radiation proteins biokemija proteini beljakovine simulacije akustika frekvence true false true Angleški jezik Slovenski jezik Članek v reviji 2024-11-06 15:23:54 2024-11-06 15:23:55 2024-11-22 14:55:16 0000-00-00 00:00:00 2023 0 0 8 str. iss. 13, art. 135101 Vol. 159 7 Oct. 2023 0000-00-00 Zaloznikova Objavljeno apc 0000-00-00 0000-00-00 0000-00-00 577 1089-7690 10.1063/5.0163801 170525187 135101_1_5.0163801.pdf 135101_1_5.0163801.pdf 1 7EC7AAB593BC9501FA6CA89FEAB158C5 6ddf13f0a856b4de70f80e9d6ce5faf8e877bbdf1e435ecdac3956adf80a8539 f3f5f497-9c4a-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=195265 https://pubs.aip.org/aip/jcp/article/159/13/135101/2913900/Sub-THz-acoustic-excitation-of-protein-motion 1 6ca2b9e7-9c4a-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=195264 Fakulteta za matematiko in fiziko 0 0 0