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Reproducibility in the unfolding process of protein induced by an external electric field
Chemical Science ( IF 8.4 ) Pub Date : 2020-12-26 , DOI: 10.1039/d0sc06008a
Anna Sinelnikova 1 , Thomas Mandl 1, 2 , Christofer Östlin 1 , Oscar Grånäs 1 , Maxim N Brodmerkel 3 , Erik G Marklund 3 , Carl Caleman 1, 4
Affiliation  

The dynamics of proteins are crucial for their function. However, commonly used techniques for studying protein structures are limited in monitoring time-resolved dynamics at high resolution. Combining electric fields with existing techniques to study gas-phase proteins, such as single particle imaging using free-electron lasers and gas-phase small angle X-ray scattering, has the potential to open up a new era in time-resolved studies of gas-phase protein dynamics. Using molecular dynamics simulations, we identify well-defined unfolding pathways of a protein, induced by experimentally achievable external electric fields. Our simulations show that strong electric fields in conjunction with short-pulsed X-ray sources such as free-electron lasers can be a new path for imaging dynamics of gas-phase proteins at high spatial and temporal resolution.

中文翻译:

外电场诱导的蛋白质展开过程的重现性

蛋白质的动力学对其功能至关重要。然而,研究蛋白质结构的常用技术在以高分辨率监测时间分辨动力学方面受到限制。将电场与现有技术相结合来研究气相蛋白质,例如使用自由电子激光和气相小角 X 射线散射的单粒子成像,有可能开辟气体时间分辨研究的新时代相蛋白质动力学。使用分子动力学模拟,我们确定了由实验可实现的外部电场诱导的明确定义的蛋白质展开途径。我们的模拟表明,强电场与短脉冲 X 射线源(如自由电子激光器)相结合,可以成为以高空间和时间分辨率对气相蛋白质动态成像的新途径。
更新日期:2021-01-20
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