软颗粒的分子动力学模拟:疟疾感染的红细胞在阻塞的二维毛细血管内运动

Luman Haris, S. Khotimah, F. Haryanto, S. Viridi
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引用次数: 1

摘要

分子动力学已被广泛应用于经典多粒子系统运动方程的数值求解。它可以用来模拟包括生物物理在内的许多系统,其复杂程度是由所涉及的元素决定的。在此基础上,建立了一个模拟疟疾感染红细胞在毛细血管内行为的数值模型。该模型受库仑力、法向力和斯托克斯力三种力的支配。利用二维四单元格式进行了理论观测,验证了其性能。虽然参数的选择是刻意的,但所有的量都是任意的。尽管如此,结果还是相当令人满意的。结合以往的研究结果,我们提出的模型足以模拟疟疾感染的红细胞在阻塞毛细血管内的运动。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular dynamics simulation of soft grains: Malaria-infected red blood cells motion within obstructed 2-D capillary vessel
Molecular dynamics has been widely used to numerically solve equation of motion of classical many-particle system. It can be used to simulate many systems including biophysics, whose complexity level is determined by the involved elements. Based on this method, a numerical model had been constructed to mimic the behaviour of malaria-infected red blood cells within capillary vessel. The model was governed by three forces namely Coulomb force, normal force, and Stokes force. By utilizing two dimensional four-cells scheme, theoretical observation was carried out to test its capability. Although the parameters were chosen deliberately, all of the quantities were given arbitrary value. Despite this fact, the results were quite satisfactory. Combined with the previous results, it can be said that the proposed model were sufficient enough to mimic the malaria-infected red blood cells motion within obstructed capillary vessel.
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