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2022-03-07
摘要翻译:
我们模拟了一个由G蛋白偶联受体(GPCR)实现的器件的电学特性,该器件嵌入其膜中,并与两个金属电极接触,通过该电极施加外部电压。为此,最近我们提出了一个基于粗粒化描述的模型,它将蛋白质描述为一个基本阻抗网络。该网络是由表示网络节点的氨基酸C-α原子的位置知识建立的。由于基元阻抗的取值依赖于节点间的距离,配体捕获引起的受体构象变化导致网络阻抗的变化。另一方面,由于热运动引起的原子位置的波动意味着阻抗噪声,其水平对GPCR捕获配体的电检测目的至关重要。在这里,我们特别通过对视紫红质分子内原子位置热涨落引起的阻抗噪声的计算研究来解决这个问题。在我们的模型中,c-α原子被视为独立的、各向同性的谐振子,振幅取决于温度和蛋白质中的位置(α螺旋或环)。然后计算了不同温度下阻抗的相对波动。
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英文标题:
《Modelization of Thermal Fluctuations in G Protein-Coupled Receptors》
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作者:
C. Pennetta, V. Akimov, E.Alfinito, L. Reggiani, G. Gomila, G.Ferrari,
  L. Fumagalli and M. Sampietro
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最新提交年份:
2005
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分类信息:

一级分类:Quantitative Biology        数量生物学
二级分类:Quantitative Methods        定量方法
分类描述:All experimental, numerical, statistical and mathematical contributions of value to biology
对生物学价值的所有实验、数值、统计和数学贡献
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一级分类:Physics        物理学
二级分类:Other Condensed Matter        其他凝聚态物质
分类描述:Work in condensed matter that does not fit into the other cond-mat classifications
在不适合其他cond-mat分类的凝聚态物质中工作
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一级分类:Quantitative Biology        数量生物学
二级分类:Other Quantitative Biology        其他定量生物学
分类描述:Work in quantitative biology that does not fit into the other q-bio classifications
不适合其他q-bio分类的定量生物学工作
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英文摘要:
  We simulate the electrical properties of a device realized by a G protein coupled receptor (GPCR), embedded in its membrane and in contact with two metallic electrodes through which an external voltage is applied. To this purpose, recently, we have proposed a model based on a coarse graining description, which describes the protein as a network of elementary impedances. The network is built from the knowledge of the positions of the C-alpha atoms of the amino acids, which represent the nodes of the network. Since the elementary impedances are taken depending of the inter-nodes distance, the conformational change of the receptor induced by the capture of the ligand results in a variation of the network impedance. On the other hand, the fluctuations of the atomic positions due to thermal motion imply an impedance noise, whose level is crucial to the purpose of an electrical detection of the ligand capture by the GPCR. Here, in particular, we address this issue by presenting a computational study of the impedance noise due to thermal fluctuations of the atomic positions within a rhodopsin molecule. In our model, the C-alpha atoms are treated as independent, isotropic, harmonic oscillators, with amplitude depending on the temperature and on the position within the protein (alpha-helix or loop). The relative fluctuation of the impedance is then calculated for different temperatures.
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PDF链接:
https://arxiv.org/pdf/q-bio/0505022
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