Potential for the detection of molecular complexes and determination of interaction geometry by 2DIR: Application to protein sciences
Potential for the detection of molecular complexes and determination of interaction geometry by 2DIR: Application to protein sciences
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DOI：
10.1039/c1fd00007a
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发表时间：
2011-01-01
影响因子：
3.4
通讯作者：
Klug, David R.
中科院分区：
文献类型：
--
作者：
Guo, Rui;Miele, Margherita;Klug, David R.
检测分子复合物并确定其几何形状的能力对于我们理解所有生物现象（包括蛋白质结构和功能）至关重要。我们最近证明了一种新颖的 2DIR 技术，即 EVV 2DIR 光谱学，可以用于此目的。在本文中，我们评估了该方法在蛋白质组成、结构和功能分析方面的潜在效用。为了做到这一点，我们将计算工具应用于一组选定的生物系统，我们计算的光谱都显示出原则上可以用现有灵敏度检测到的特征。我们还研究了使用我们的技术通过酪氨酸-水模型检测和分析氢键系统的可能性。
The ability to detect molecular complexes and determine their geometries is crucial to our understanding of all biological phenomena, including protein structures and functions. We recently demonstrated that a novel 2DIR technique, EVV 2DIR spectroscopy, can be used for this purpose. In this paper, we evaluate the potential utility of the method for the analysis of protein composition, structure and function. In order to do this we apply computational tools to a group of selected biological systems, for which our calculated spectra all showed features that can in principle be detected with existing sensitivities. We also investigate the possibility of using our technique to detect and analyse hydrogen-bonded systems through a tyrosine-water model.