The amyloid-beta peptide is a peptide that consists of 42 amino acids and is derived from the precursor protein known as an amyloid-beta precursor protein (APP). The amyloid-beta precursor protein is a glycoprotein that is a single-pass transmembrane transporter that only crosses the membrane once. On chromosome 21, you will find the gene that codes for amyloid-beta precursor protein. Because of its significance in biological applications, the protein's thermal characteristics is being investigated. The thermal behavior of this biostructure may be predicted using computer models, which are dependent on the structure's arrangement of atoms. Numerical molecular dynamics techniques (the Green-Kubo approach), the thermal behavior of amyloid beta-peptide is computed in the present computational work. In this approach, amyloid beta-peptide is formed by the atoms C, F, H, N, O, and S using the DREIDING and Universal force field (UFF). According to the findings of our MD simulations, the amyloid-beta protein has a thermal conductivity (k) of 1.23 W/mK under typical conditions (T = 300 K and P = 1 bar). Simulations have also shown that the starting temperature and pressure significantly impact how the modeled protein reacts to heat. After t = 10 ns, thermal behavior is seen in the simulated structures, brought about by a rise in the starting temperature and pressure.

β-淀粉样肽是一种由 42 个氨基酸组成的肽，来源于称为β-淀粉样前体蛋白 (APP) 的前体蛋白。β-淀粉样蛋白前体蛋白是一种糖蛋白，它是一种单次跨膜转运蛋白，仅穿过膜一次。在 21 号染色体上，您会发现编码淀粉样蛋白-β 前体蛋白的基因。由于其在生物学应用中的重要性，正在研究蛋白质的热特性。这种生物结构的热行为可以使用计算机模型来预测，这取决于结构的原子排列。数值分子动力学技术（Green-Kubo 方法），在目前的计算工作中计算了淀粉样蛋白 β-肽的热行为。在这种方法中，β-淀粉样肽由原子 C、F、H、N、O 和 S 使用 DREIDING 和通用力场 (UFF) 形成。根据我们的 MD 模拟结果，β 淀粉样蛋白在典型条件下的热导率 (k) 为 1.23 W/mK (T  = 300 K 和P  = 1 巴）。模拟还表明，起始温度和压力显着影响建模蛋白质对热量的反应。在t  = 10 ns 之后，在模拟结构中可以看到热行为，这是由起始温度和压力的升高引起的。