Specific osteogenesis imperfecta-related Gly substitutions in type I collagen induce distinct structural, mechanical, and dynamic characteristics
Specific osteogenesis imperfecta-related Gly substitutions in type I collagen induce distinct structural, mechanical, and dynamic characteristics
复制标题
I 型胶原中与成骨不全相关的特定 Gly 取代诱导独特的结构、机械和动态特性
DOI：
10.1039/d1cc05277b
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发表时间：
2021
影响因子：
4.9
通讯作者：
Yeo, Jingjie
中科院分区：
文献类型：
--
作者：
Shi, Haoyuan;Zhao, Liming;Zhai, Chenxi;Yeo, Jingjie
通过分子动力学模拟和马尔可夫状态模型，使用综合结构和动力学分析，将野生型胶原三螺旋的刚度、β-结构、氢键和振动模式与成骨不全相关突变体进行比较。这些特征的差异与每个突变特有的突变区域中的解开结构状态密切相关。
The stiffnesses, β-structures, hydrogen bonds, and vibrational modes of wild-type collagen triple helices are compared with osteogenesis imperfecta-related mutants using integrative structural and dynamic analysis via molecular dynamics simulations and Markov state models. Differences in these characteristics are strongly related to the unwound structural states in the mutated regions that are specific to each mutation.