Investigation of the effect of external force and initial pressure on the stability of cancer cells using molecular dynamics simulation
Department of Biomedical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran
2 Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran
Accepted: 13 August 2022
Published online: 24 August 2022
Investigation of the behavior of cancer cells and their mechanical and physical characteristics can play an important role in the early diagnosis and treatment of cancer. In this paper, the molecular dynamics method (MDM) investigates cancer cells' atomic behavior and stability under different external forces and initial pressures. To investigate the atomic behavior of the simulated structures, the parameters of gyration radius, interaction energy, and interaction force were studied. The results show that by increasing the external force to 0.05 kcal/mol Å, the radius of gyration increases to 0.49 Å. Also, with the application of external force, interaction energy and force increase to − 533.44 kcal/mol and − 190.06 kcal/mol Å. In addition, increasing the initial pressure up to 5 bar changes the mentioned quantities of the radius of gyration, interaction energy, and interaction force to 68.46 Å, − 535.55 kcal/mol, − 195.44 kcal/mol Å, respectively. Since structures' atomic behavior and stability are important factors in diagnosing any disease, we expect that the MDM performed in this paper will be useful in treating and preventing diseases, including cancer.
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