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Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin αV β3.
Proteins: Structure, Function, and Bioinformatics ( IF 2.9 ) Pub Date : 2019-11-18 , DOI: 10.1002/prot.25849
Martin Kulke 1 , Walter Langel 1
Affiliation  

The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these mechanisms by free and steered molecular dynamics simulations. For the first time, constant velocity pulling on the complete integrin molecule inside a dipalmitoyl-phosphatidylcholine membrane is conducted. From the results, the most likely mechanism for inside-out and outside-in signaling is the switchblade model with further separation of the transmembrane helices.

中文翻译:

整联蛋白αVβ3双向粘附信号通路的分子动力学模拟。

整联蛋白通过细胞膜的双向力传递过程仍然不是很清楚。在实验数据的基础上,文献中讨论了几种可能的机制,在这项研究中,我们通过自由和受控的分子动力学模拟研究了这些机制。首次以恒定速度拉动二棕榈酰磷脂酰胆碱膜内部的完整整联蛋白分子。从结果来看,从里到外和从里到外的信号传递最可能的机制是开关刀片模型,其中跨膜螺旋的进一步分离。
更新日期:2019-11-18
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